1,3-bis(3-methylphenyl)propan-1-ol

C17H20O — CID 105077889

IUPAC1,3-bis(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20O/c1-13-5-3-7-15(11-13)9-10-17(18)16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3
InChIKeyOTJPSKFUGBGWFO-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.97
Rot. Bonds4

About 1,3-bis(3-methylphenyl)propan-1-ol

1,3-bis(3-methylphenyl)propan-1-ol (PubChem CID 105077889) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,3-bis(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1,3-bis(3-methylphenyl)propan-1-ol
PubChem CID105077889
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1,3-bis(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20O/c1-13-5-3-7-15(11-13)9-10-17(18)16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3
InChIKeyOTJPSKFUGBGWFO-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3-bis(3-methylphenyl)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

3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylphenyl)propan-1-ol?
The IUPAC name of 1,3-bis(3-methylphenyl)propan-1-ol (CID 105077889) is 1,3-bis(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1,3-bis(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1,3-bis(3-methylphenyl)propan-1-ol is Cc1cccc(CCC(O)c2cccc(C)c2)c1.
What is the InChIKey of 1,3-bis(3-methylphenyl)propan-1-ol?
The InChIKey is OTJPSKFUGBGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-13-5-3-7-15(11-13)9-10-17(18)16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3.
What are the key properties of 1,3-bis(3-methylphenyl)propan-1-ol?
1,3-bis(3-methylphenyl)propan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105077889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).