trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid

C14H18O2 — CID 54256967

IUPACtrans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h6-9,12-13H,2-5H2,1H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyRATGULGAYZCBBP-QWHCGFSZSA-N
MW218.30 g/mol
LogP3.35
Rot. Bonds2

About trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid

trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 54256967) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID54256967
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nametrans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h6-9,12-13H,2-5H2,1H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyRATGULGAYZCBBP-QWHCGFSZSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
2-[4-(2-oxopropanoyl)phenyl]cyclohexane-1-carboxylic acid
CID 68735067
2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81008761
4-tert-butyl-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 81020836
4-(4-methylphenyl)oxane-3-carboxylic acid
CID 84787423
trans-(1R,2R)-2-[4-(acetyloxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 59111315
2-(4-nitrophenyl)cycloheptane-1-carboxylic acid
CID 82246550
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
trans-(1R,2R)-2-[4-(3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]cyclohexane-1-carboxylic acid
CID 59111319

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid (CID 54256967) is trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc([C@@H]2CCCC[C@H]2C(=O)O)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is RATGULGAYZCBBP-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h6-9,12-13H,2-5H2,1H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54256967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).