(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid

C22H24O4 — CID 174513742

IUPAC(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(c1ccccc1)c1cccc(O)c1C1CCCCC1
InChIInChI=1S/C19H20O2.C3H4O2/c20-17-13-7-12-16(18(17)14-8-3-1-4-9-14)19(21)15-10-5-2-6-11-15;1-2-3(4)5/h2,5-7,10-14,20H,1,3-4,8-9H2;2H,1H2,(H,4,5)
InChIKeyJNSRBKUZRWWSJL-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.93
Rot. Bonds4

About (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid

(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid (PubChem CID 174513742) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid.

Molecular Properties

Compound Name(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid
PubChem CID174513742
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(c1ccccc1)c1cccc(O)c1C1CCCCC1
InChIInChI=1S/C19H20O2.C3H4O2/c20-17-13-7-12-16(18(17)14-8-3-1-4-9-14)19(21)15-10-5-2-6-11-15;1-2-3(4)5/h2,5-7,10-14,20H,1,3-4,8-9H2;2H,1H2,(H,4,5)
InChIKeyJNSRBKUZRWWSJL-UHFFFAOYSA-N
XLogP4.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid?
The IUPAC name of (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid (CID 174513742) is (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid.
What is the SMILES notation for (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid?
The canonical SMILES for (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid is C=CC(=O)O.O=C(c1ccccc1)c1cccc(O)c1C1CCCCC1.
What is the InChIKey of (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid?
The InChIKey is JNSRBKUZRWWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2.C3H4O2/c20-17-13-7-12-16(18(17)14-8-3-1-4-9-14)19(21)15-10-5-2-6-11-15;1-2-3(4)5/h2,5-7,10-14,20H,1,3-4,8-9H2;2H,1H2,(H,4,5).
What are the key properties of (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid?
(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid has a molecular weight of 352.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid is sourced from PubChem (CID 174513742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).