(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol

C18H22O2 — CID 63364047

IUPAC(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1ccc(C)c(C)c1
InChIInChI=1S/C18H22O2/c1-4-17(19)16-7-5-6-8-18(16)20-12-15-10-9-13(2)14(3)11-15/h5-11,17,19H,4,12H2,1-3H3/t17-/m0/s1
InChIKeyKJKNFYMDYGYYTE-KRWDZBQOSA-N
MW270.37 g/mol
LogP4.33
Rot. Bonds5

About (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol

(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol (PubChem CID 63364047) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
PubChem CID63364047
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1ccc(C)c(C)c1
InChIInChI=1S/C18H22O2/c1-4-17(19)16-7-5-6-8-18(16)20-12-15-10-9-13(2)14(3)11-15/h5-11,17,19H,4,12H2,1-3H3/t17-/m0/s1
InChIKeyKJKNFYMDYGYYTE-KRWDZBQOSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol 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

(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-[(4-bromophenyl)methoxy]phenyl]propan-1-ol
CID 55188606
3-[[2-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 63365245
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
CID 63530895
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160
(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 79025693
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
CID 78930150

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol (CID 63364047) is (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCc1ccc(C)c(C)c1.
What is the InChIKey of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is KJKNFYMDYGYYTE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-17(19)16-7-5-6-8-18(16)20-12-15-10-9-13(2)14(3)11-15/h5-11,17,19H,4,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol?
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 63364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).