4-(3,3-dimethoxy-3-phenylpropyl)phenol

C17H20O3 — CID 175486345

IUPAC4-(3,3-dimethoxy-3-phenylpropyl)phenol
SMILESCOC(CCc1ccc(O)cc1)(OC)c1ccccc1
InChIInChI=1S/C17H20O3/c1-19-17(20-2,15-6-4-3-5-7-15)13-12-14-8-10-16(18)11-9-14/h3-11,18H,12-13H2,1-2H3
InChIKeyYYQMPXQRQOALDX-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.47
Rot. Bonds6

About 4-(3,3-dimethoxy-3-phenylpropyl)phenol

4-(3,3-dimethoxy-3-phenylpropyl)phenol (PubChem CID 175486345) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(3,3-dimethoxy-3-phenylpropyl)phenol.

Molecular Properties

Compound Name4-(3,3-dimethoxy-3-phenylpropyl)phenol
PubChem CID175486345
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-(3,3-dimethoxy-3-phenylpropyl)phenol
SMILESCOC(CCc1ccc(O)cc1)(OC)c1ccccc1
InChIInChI=1S/C17H20O3/c1-19-17(20-2,15-6-4-3-5-7-15)13-12-14-8-10-16(18)11-9-14/h3-11,18H,12-13H2,1-2H3
InChIKeyYYQMPXQRQOALDX-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
4,4-dimethoxy-4-phenylbutanenitrile
CID 13065938
4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867219
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
CID 61046174
(1-deuterio-2,2-dimethoxy-2-phenylethyl)benzene
CID 175720305
4-(3,3-difluorobutyl)phenol
CID 84660566
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
4-[6-methyl-6-phenyl-5-(2-phenylpropan-2-yl)heptyl]phenol
CID 66866176
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
2,2-dimethoxy-1,4-diphenylbutan-1-one
CID 156787489
(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
CID 175022996
4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
CID 61055515

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
The IUPAC name of 4-(3,3-dimethoxy-3-phenylpropyl)phenol (CID 175486345) is 4-(3,3-dimethoxy-3-phenylpropyl)phenol.
What is the SMILES notation for 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
The canonical SMILES for 4-(3,3-dimethoxy-3-phenylpropyl)phenol is COC(CCc1ccc(O)cc1)(OC)c1ccccc1.
What is the InChIKey of 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
The InChIKey is YYQMPXQRQOALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-19-17(20-2,15-6-4-3-5-7-15)13-12-14-8-10-16(18)11-9-14/h3-11,18H,12-13H2,1-2H3.
What are the key properties of 4-(3,3-dimethoxy-3-phenylpropyl)phenol?
4-(3,3-dimethoxy-3-phenylpropyl)phenol has a molecular weight of 272.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethoxy-3-phenylpropyl)phenol is sourced from PubChem (CID 175486345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).