2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid

C23H34O2 — CID 19026680

IUPAC2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
SMILESCCCC1CCC(C2CCC(c3ccc(CC(=O)O)cc3)CC2)CC1
InChIInChI=1S/C23H34O2/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(7-11-20)16-23(24)25/h6-7,10-11,17,19,21-22H,2-5,8-9,12-16H2,1H3,(H,24,25)
InChIKeyWNUGXDYVEDAYFR-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.19
Rot. Bonds6

About 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid

2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid (PubChem CID 19026680) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
PubChem CID19026680
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
SMILESCCCC1CCC(C2CCC(c3ccc(CC(=O)O)cc3)CC2)CC1
InChIInChI=1S/C23H34O2/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(7-11-20)16-23(24)25/h6-7,10-11,17,19,21-22H,2-5,8-9,12-16H2,1H3,(H,24,25)
InChIKeyWNUGXDYVEDAYFR-UHFFFAOYSA-N
XLogP6.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1,13-bis[4-(4-propylcyclohexyl)phenyl]tridecan-7-one
CID 70445108
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
ethyl-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]silane
CID 123784930
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid (CID 19026680) is 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid is CCCC1CCC(C2CCC(c3ccc(CC(=O)O)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid?
The InChIKey is WNUGXDYVEDAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(7-11-20)16-23(24)25/h6-7,10-11,17,19,21-22H,2-5,8-9,12-16H2,1H3,(H,24,25).
What are the key properties of 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid?
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid has a molecular weight of 342.52 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid is sourced from PubChem (CID 19026680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).