(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C23H28O — CID 124677295

IUPAC(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)[C@H]2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O/c1-22(2)18-14-15-23(22,3)21(24)20(18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-21,24H,14-15H2,1-3H3/t18-,20+,21-,23-/m0/s1
InChIKeyAVDVYMLVSQDTMG-SQMWVJLWSA-N
MW320.48 g/mol
LogP5.25
Rot. Bonds3

About (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 124677295) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID124677295
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)[C@H]2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O/c1-22(2)18-14-15-23(22,3)21(24)20(18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-21,24H,14-15H2,1-3H3/t18-,20+,21-,23-/m0/s1
InChIKeyAVDVYMLVSQDTMG-SQMWVJLWSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

(1R)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 91115294
(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10849014
(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 100951242
1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
CID 102377382
2-[(1S)-5-[[(1R,2R,3S,4R)-3-benzhydryl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-methylcyclohexa-2,4-dien-1-yl]-2-methylpropanenitrile
CID 10696068
(1R,4S)-1,7,7-trimethyl-3-[[(1S)-1-phenylbut-3-enyl]amino]sulfanylbicyclo[2.2.1]heptan-2-ol
CID 134928903
(1R,2R,3S,4S)-3-benzylsulfanyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10850098
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7053658
(1S,3S,4R)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18389885
(1R,2S,3R,4S)-3-benzylsulfonyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10828640
1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
CID 14764693

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 124677295) is (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)[C@H]2C(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is AVDVYMLVSQDTMG-SQMWVJLWSA-N. The full InChI is InChI=1S/C23H28O/c1-22(2)18-14-15-23(22,3)21(24)20(18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-21,24H,14-15H2,1-3H3/t18-,20+,21-,23-/m0/s1.
What are the key properties of (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 124677295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).