7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran

C15H19ClO — CID 146620408

IUPAC7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran
SMILESCC(C)Cc1coc2c(Cl)cc(C(C)C)cc12
InChIInChI=1S/C15H19ClO/c1-9(2)5-12-8-17-15-13(12)6-11(10(3)4)7-14(15)16/h6-10H,5H2,1-4H3
InChIKeyNFXNEYPANLCEAQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP5.41
Rot. Bonds3

About 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran

7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran (PubChem CID 146620408) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran
PubChem CID146620408
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran
SMILESCC(C)Cc1coc2c(Cl)cc(C(C)C)cc12
InChIInChI=1S/C15H19ClO/c1-9(2)5-12-8-17-15-13(12)6-11(10(3)4)7-14(15)16/h6-10H,5H2,1-4H3
InChIKeyNFXNEYPANLCEAQ-UHFFFAOYSA-N
XLogP5.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.77
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran 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

7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 146620796
1,2,3-trichloro-5-propan-2-ylbenzene
CID 20811691
7-chloro-5-propan-2-yl-1-benzofuran
CID 129148915
2-(7-chloro-5-methyl-1-benzofuran-3-yl)-N-methylethanamine
CID 81049955
2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
CID 141214652
(5,7-dichloro-1-benzofuran-3-yl)methyl methanesulfonate
CID 118564134
2-tert-butyl-1-chloro-3-methyl-5-propan-2-ylbenzene
CID 139403950
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
CID 175757661
CID 175757661
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran?
The IUPAC name of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran (CID 146620408) is 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran.
What is the SMILES notation for 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran?
The canonical SMILES for 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran is CC(C)Cc1coc2c(Cl)cc(C(C)C)cc12.
What is the InChIKey of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran?
The InChIKey is NFXNEYPANLCEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-9(2)5-12-8-17-15-13(12)6-11(10(3)4)7-14(15)16/h6-10H,5H2,1-4H3.
What are the key properties of 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran?
7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran has a molecular weight of 250.77 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1-benzofuran is sourced from PubChem (CID 146620408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).