2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid

C21H24O4 — CID 91366946

IUPAC2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCCCC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H24O4/c22-20(23)14-21(24)13-5-4-8-19(21)17-9-11-18(12-10-17)25-15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19,24H,4-5,8,13-15H2,(H,22,23)
InChIKeyYWBPTYCNXZXKGR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.13
Rot. Bonds6

About 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid

2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid (PubChem CID 91366946) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid
PubChem CID91366946
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCCCC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H24O4/c22-20(23)14-21(24)13-5-4-8-19(21)17-9-11-18(12-10-17)25-15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19,24H,4-5,8,13-15H2,(H,22,23)
InChIKeyYWBPTYCNXZXKGR-UHFFFAOYSA-N
XLogP4.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
benzyl 2-[(1S,2S)-2-acetyloxy-1-hydroxycyclohexyl]acetate
CID 24879603
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid (CID 91366946) is 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid is O=C(O)CC1(O)CCCCC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid?
The InChIKey is YWBPTYCNXZXKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c22-20(23)14-21(24)13-5-4-8-19(21)17-9-11-18(12-10-17)25-15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19,24H,4-5,8,13-15H2,(H,22,23).
What are the key properties of 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid?
2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid has a molecular weight of 340.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(4-phenylmethoxyphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 91366946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).