(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone

C29H34O4 — CID 157395902

IUPAC(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone
SMILESCOC(Cc1ccccc1)(OC)c1ccccc1.O=C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H18O2.C13H16O2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h3-12H,13H2,1-2H3;1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyBMOKFKULWWGAFM-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.94
Rot. Bonds7

About (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone

(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone (PubChem CID 157395902) has the molecular formula C29H34O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone.

Molecular Properties

Compound Name(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone
PubChem CID157395902
Molecular FormulaC29H34O4
Molecular Weight446.59 g/mol
Exact Mass446.25
IUPAC Name(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone
SMILESCOC(Cc1ccccc1)(OC)c1ccccc1.O=C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H18O2.C13H16O2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h3-12H,13H2,1-2H3;1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyBMOKFKULWWGAFM-UHFFFAOYSA-N
XLogP5.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethoxy-1,2-diphenylethanone;diphenylmethanone;(1-hydroxycyclohexyl)-phenylmethanone
CID 159035325
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
anisole;(1-hydroxycyclohexyl)-phenylmethanone;propanal
CID 175329205
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;(1-hydroxycyclohexyl)-phenylmethanone
CID 162007679
(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
CID 103450378
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
CID 155168101
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
2,2-dimethoxy-1,2-diphenylethanone;(1-hydroxycyclohexyl)-phenylmethanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 159727407
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone?
The IUPAC name of (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone (CID 157395902) is (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone.
What is the SMILES notation for (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone?
The canonical SMILES for (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone is COC(Cc1ccccc1)(OC)c1ccccc1.O=C(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone?
The InChIKey is BMOKFKULWWGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C13H16O2/c1-17-16(18-2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h3-12H,13H2,1-2H3;1,3-4,7-8,15H,2,5-6,9-10H2.
What are the key properties of (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone?
(1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone has a molecular weight of 446.59 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethoxy-2-phenylethyl)benzene;(1-hydroxycyclohexyl)-phenylmethanone is sourced from PubChem (CID 157395902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).