2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid

C20H22O3 — CID 3069705

IUPAC2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1
InChIInChI=1S/C20H22O3/c21-19(22)18(20(23)13-5-2-6-14-20)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18,23H,2,5-6,13-14H2,(H,21,22)
InChIKeyXYRCRRIFXONMTB-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.22
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid

2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid (PubChem CID 3069705) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid
PubChem CID3069705
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1
InChIInChI=1S/C20H22O3/c21-19(22)18(20(23)13-5-2-6-14-20)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18,23H,2,5-6,13-14H2,(H,21,22)
InChIKeyXYRCRRIFXONMTB-UHFFFAOYSA-N
XLogP4.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid?
The IUPAC name of 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid (CID 3069705) is 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid is O=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid?
The InChIKey is XYRCRRIFXONMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c21-19(22)18(20(23)13-5-2-6-14-20)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12,18,23H,2,5-6,13-14H2,(H,21,22).
What are the key properties of 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid?
2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid has a molecular weight of 310.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-2-(4-phenylphenyl)acetic acid is sourced from PubChem (CID 3069705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).