1,2-dimethoxy-3-(4-pentylphenyl)benzene

C19H24O2 — CID 175313159

IUPAC1,2-dimethoxy-3-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H24O2/c1-4-5-6-8-15-11-13-16(14-12-15)17-9-7-10-18(20-2)19(17)21-3/h7,9-14H,4-6,8H2,1-3H3
InChIKeyJJOXMMWTBZTOHX-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.10
Rot. Bonds7

About 1,2-dimethoxy-3-(4-pentylphenyl)benzene

1,2-dimethoxy-3-(4-pentylphenyl)benzene (PubChem CID 175313159) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,2-dimethoxy-3-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-(4-pentylphenyl)benzene
PubChem CID175313159
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1,2-dimethoxy-3-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H24O2/c1-4-5-6-8-15-11-13-16(14-12-15)17-9-7-10-18(20-2)19(17)21-3/h7,9-14H,4-6,8H2,1-3H3
InChIKeyJJOXMMWTBZTOHX-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethoxy-3-(4-pentylphenyl)benzene 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-methoxy-6-(4-propylphenyl)phenol
CID 83130224
3-(4-pentylphenyl)benzene-1,2-diol
CID 70366115
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
2,5,8,11,20-pentakis(4-octylphenyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 101237602
[5-(4-butylphenyl)naphthalen-1-yl]methanol
CID 154221033
1-(4-butylphenyl)-3,4-difluoro-2-methoxybenzene
CID 141109790
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-iodo-2-(4-octylphenyl)benzene
CID 87323299
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine
CID 82782325
2-butyl-1,3-dimethoxybenzene
CID 524840
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-(4-pentylphenyl)benzene?
The IUPAC name of 1,2-dimethoxy-3-(4-pentylphenyl)benzene (CID 175313159) is 1,2-dimethoxy-3-(4-pentylphenyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-3-(4-pentylphenyl)benzene?
The canonical SMILES for 1,2-dimethoxy-3-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2cccc(OC)c2OC)cc1.
What is the InChIKey of 1,2-dimethoxy-3-(4-pentylphenyl)benzene?
The InChIKey is JJOXMMWTBZTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-5-6-8-15-11-13-16(14-12-15)17-9-7-10-18(20-2)19(17)21-3/h7,9-14H,4-6,8H2,1-3H3.
What are the key properties of 1,2-dimethoxy-3-(4-pentylphenyl)benzene?
1,2-dimethoxy-3-(4-pentylphenyl)benzene has a molecular weight of 284.40 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-(4-pentylphenyl)benzene is sourced from PubChem (CID 175313159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).