(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol

C14H18O — CID 10703299

IUPAC(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
SMILESCc1ccc([C@H]2C[C@H]3CC[C@@H]2[C@H]3O)cc1
InChIInChI=1S/C14H18O/c1-9-2-4-10(5-3-9)13-8-11-6-7-12(13)14(11)15/h2-5,11-15H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKeySDFNSUUWJKZSJC-RQJABVFESA-N
MW202.30 g/mol
LogP2.87
Rot. Bonds1

About (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol

(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol (PubChem CID 10703299) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
PubChem CID10703299
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
SMILESCc1ccc([C@H]2C[C@H]3CC[C@@H]2[C@H]3O)cc1
InChIInChI=1S/C14H18O/c1-9-2-4-10(5-3-9)13-8-11-6-7-12(13)14(11)15/h2-5,11-15H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKeySDFNSUUWJKZSJC-RQJABVFESA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
2-(4-methylphenyl)cyclobutan-1-ol
CID 126971920
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene
CID 123342041
(1S,5S,6R)-6-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 124583210
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
1-[(4S)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 137384106
4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 81020836
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
[(1S,2S,4R,5R,6S)-5,6-dihydroxy-2-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate
CID 10853582

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol (CID 10703299) is (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol is Cc1ccc([C@H]2C[C@H]3CC[C@@H]2[C@H]3O)cc1.
What is the InChIKey of (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol?
The InChIKey is SDFNSUUWJKZSJC-RQJABVFESA-N. The full InChI is InChI=1S/C14H18O/c1-9-2-4-10(5-3-9)13-8-11-6-7-12(13)14(11)15/h2-5,11-15H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol?
(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol has a molecular weight of 202.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 10703299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).