4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol

C35H48O2 — CID 66574063

IUPAC4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCc1cc(Cc2cc(C)c(O)c([C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c2)cc([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1O
InChIInChI=1S/C35H48O2/c1-20-13-22(16-26(30(20)36)28-18-24-9-11-34(28,7)32(24,3)4)15-23-14-21(2)31(37)27(17-23)29-19-25-10-12-35(29,8)33(25,5)6/h13-14,16-17,24-25,28-29,36-37H,9-12,15,18-19H2,1-8H3/t24-,25-,28+,29+,34+,35+/m0/s1
InChIKeyPGYITBHPWSYSEK-GZSRPDPYSA-N
MW500.77 g/mol
LogP9.17
Rot. Bonds4

About 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol

4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol (PubChem CID 66574063) has the molecular formula C35H48O2 and a molecular weight of 500.77 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
PubChem CID66574063
Molecular FormulaC35H48O2
Molecular Weight500.77 g/mol
Exact Mass500.37
IUPAC Name4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCc1cc(Cc2cc(C)c(O)c([C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c2)cc([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1O
InChIInChI=1S/C35H48O2/c1-20-13-22(16-26(30(20)36)28-18-24-9-11-34(28,7)32(24,3)4)15-23-14-21(2)31(37)27(17-23)29-19-25-10-12-35(29,8)33(25,5)6/h13-14,16-17,24-25,28-29,36-37H,9-12,15,18-19H2,1-8H3/t24-,25-,28+,29+,34+,35+/m0/s1
InChIKeyPGYITBHPWSYSEK-GZSRPDPYSA-N
XLogP9.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 59.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol with MolForge

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Related Compounds

4-(hydroxymethyl)-2,6-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
CID 142768919
2-[(dimethylamino)methyl]-4-methyl-6-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
CID 142766092
2-methoxy-6-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 3035148
2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
CID 107679442
4-[[(1R)-1-phenylethyl]iminomethyl]-2,6-bis[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 137175881
4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
CID 63427518
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
CID 155630645
2-methoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21119678
1,7,7-trimethyl-2-(2-methyl-3-phosphorosophenyl)bicyclo[2.2.1]heptane
CID 67639379
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
5-[[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxy-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 90384470

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
The IUPAC name of 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol (CID 66574063) is 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol.
What is the SMILES notation for 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
The canonical SMILES for 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol is Cc1cc(Cc2cc(C)c(O)c([C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c2)cc([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1O.
What is the InChIKey of 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
The InChIKey is PGYITBHPWSYSEK-GZSRPDPYSA-N. The full InChI is InChI=1S/C35H48O2/c1-20-13-22(16-26(30(20)36)28-18-24-9-11-34(28,7)32(24,3)4)15-23-14-21(2)31(37)27(17-23)29-19-25-10-12-35(29,8)33(25,5)6/h13-14,16-17,24-25,28-29,36-37H,9-12,15,18-19H2,1-8H3/t24-,25-,28+,29+,34+,35+/m0/s1.
What are the key properties of 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol has a molecular weight of 500.77 g/mol, XLogP of 9.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-methyl-5-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]methyl]-2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol is sourced from PubChem (CID 66574063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).