2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol

C17H24O2 — CID 21174044

IUPAC2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCOc1cc([C@H]2C[C@H]3C[C@H]2[C@H](C)C3(C)C)ccc1O
InChIInChI=1S/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3/t10-,12+,13-,14+/m0/s1
InChIKeyNUEKYQUPPRJHFP-AHLTXXRQSA-N
MW260.38 g/mol
LogP4.19
Rot. Bonds2

About 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol

2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol (PubChem CID 21174044) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
PubChem CID21174044
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
SMILESCOc1cc([C@H]2C[C@H]3C[C@H]2[C@H](C)C3(C)C)ccc1O
InChIInChI=1S/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3/t10-,12+,13-,14+/m0/s1
InChIKeyNUEKYQUPPRJHFP-AHLTXXRQSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol with MolForge

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Related Compounds

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CID 58785260
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CID 3572630
2-methoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21119678
2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol
CID 82228517
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CID 162838904
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CID 10236249
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CID 51723028
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CID 19009448
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
4-[4-(4-hydroxy-3-methoxyphenyl)-1,3-dioxan-5-yl]-2-methoxyphenol
CID 71331203
2-methoxy-4-(4-methyl-3,4-dihydro-2H-pyran-2-yl)phenol
CID 19860082
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
The IUPAC name of 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol (CID 21174044) is 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
The canonical SMILES for 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol is COc1cc([C@H]2C[C@H]3C[C@H]2[C@H](C)C3(C)C)ccc1O.
What is the InChIKey of 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
The InChIKey is NUEKYQUPPRJHFP-AHLTXXRQSA-N. The full InChI is InChI=1S/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3/t10-,12+,13-,14+/m0/s1.
What are the key properties of 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol?
2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol has a molecular weight of 260.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol is sourced from PubChem (CID 21174044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).