2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol

C18H22O2 — CID 102940890

IUPAC2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
SMILESCc1ccc(CC(CO)COCc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-15-7-9-16(10-8-15)11-18(12-19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,11-14H2,1H3
InChIKeyPTTHUAMUXVOZLR-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.36
Rot. Bonds7

About 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol

2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol (PubChem CID 102940890) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
PubChem CID102940890
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
SMILESCc1ccc(CC(CO)COCc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-15-7-9-16(10-8-15)11-18(12-19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,11-14H2,1H3
InChIKeyPTTHUAMUXVOZLR-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-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

(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
(2R,3S,4S,5R)-1,6-bis[(4-methylphenyl)methoxy]-2,5-bis(phenylmethoxy)hexane-3,4-diol
CID 3011280
2-[(4-methylphenyl)methoxymethyl]propane-1,3-diamine
CID 143482271
2-benzyloctoxymethylbenzene
CID 134979791
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
ethyl 2,2-difluoro-2-[4-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]phenyl]acetate
CID 21265696
(2-benzyl-3-hydroxypropyl) methanesulfonate
CID 22447796
[2-(hydroxymethyl)-7-phenylmethoxyheptyl] 4-methylbenzenesulfonate
CID 10645035
CID 172760983
CID 172760983

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol (CID 102940890) is 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol is Cc1ccc(CC(CO)COCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol?
The InChIKey is PTTHUAMUXVOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15-7-9-16(10-8-15)11-18(12-19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,11-14H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol?
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 102940890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).