2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene

C18H18O — CID 167525314

IUPAC2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
SMILESCC#Cc1cc(C)c(-c2ccccc2OC)c(C)c1
InChIInChI=1S/C18H18O/c1-5-8-15-11-13(2)18(14(3)12-15)16-9-6-7-10-17(16)19-4/h6-7,9-12H,1-4H3
InChIKeyWJICSPIJVBLTMI-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.35
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene

2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene (PubChem CID 167525314) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
PubChem CID167525314
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
SMILESCC#Cc1cc(C)c(-c2ccccc2OC)c(C)c1
InChIInChI=1S/C18H18O/c1-5-8-15-11-13(2)18(14(3)12-15)16-9-6-7-10-17(16)19-4/h6-7,9-12H,1-4H3
InChIKeyWJICSPIJVBLTMI-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene 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

5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
1-iodo-2,3,5,6-tetrakis(2-methoxyphenyl)-4-methylbenzene
CID 145152049
5-hydroxy-4-(2-methoxy-6-methyl-4-prop-1-ynylphenyl)-1,2-dimethylpyrazol-3-one
CID 123972365
prop-1-ynylbenzene
CID 142310164
1,3-difluoro-2-(2-methoxyphenyl)benzene;isothiocyanic acid
CID 175606865
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
1,2-diethyl-5-hydroxy-4-(2-methoxy-6-methyl-4-prop-1-ynylphenyl)pyrazol-3-one
CID 123316846
1-iodo-3-(2-methoxyphenyl)-2-methyl-4-methylsulfonylbenzene
CID 21183140
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
1,4-bis(2,6-dimethylphenyl)-2,5-dimethoxybenzene
CID 156631925
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane
CID 139473541

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene?
The IUPAC name of 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene (CID 167525314) is 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene?
The canonical SMILES for 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene is CC#Cc1cc(C)c(-c2ccccc2OC)c(C)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene?
The InChIKey is WJICSPIJVBLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-5-8-15-11-13(2)18(14(3)12-15)16-9-6-7-10-17(16)19-4/h6-7,9-12H,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene?
2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene has a molecular weight of 250.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene is sourced from PubChem (CID 167525314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).