3-chloro-2,5-dimethyl-1-benzofuran

C10H9ClO — CID 90163019

IUPAC3-chloro-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(Cl)c2c1
InChIInChI=1S/C10H9ClO/c1-6-3-4-9-8(5-6)10(11)7(2)12-9/h3-5H,1-2H3
InChIKeyXPAYNPPQLCWLHU-UHFFFAOYSA-N
MW180.63 g/mol
LogP3.70
Rot. Bonds

About 3-chloro-2,5-dimethyl-1-benzofuran

3-chloro-2,5-dimethyl-1-benzofuran (PubChem CID 90163019) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 3-chloro-2,5-dimethyl-1-benzofuran.

Molecular Properties

Compound Name3-chloro-2,5-dimethyl-1-benzofuran
PubChem CID90163019
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name3-chloro-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(Cl)c2c1
InChIInChI=1S/C10H9ClO/c1-6-3-4-9-8(5-6)10(11)7(2)12-9/h3-5H,1-2H3
InChIKeyXPAYNPPQLCWLHU-UHFFFAOYSA-N
XLogP3.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 82394773
2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
CID 139071712
4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
CID 163132795
3-(3-chlorophenyl)sulfanyl-2,5-dimethyl-1-benzofuran
CID 123804668
2-iodo-3,5-dimethyl-1-benzofuran
CID 163624789
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
actinium;8-methyldibenzofuran-2-ol
CID 18739071
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1-benzofuran
CID 138612128
7-methylthieno[3,2-b][1]benzofuran
CID 125495786
8-methyldibenzofuran-2-carbonitrile
CID 118232593
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethyl-1-benzofuran?
The IUPAC name of 3-chloro-2,5-dimethyl-1-benzofuran (CID 90163019) is 3-chloro-2,5-dimethyl-1-benzofuran.
What is the SMILES notation for 3-chloro-2,5-dimethyl-1-benzofuran?
The canonical SMILES for 3-chloro-2,5-dimethyl-1-benzofuran is Cc1ccc2oc(C)c(Cl)c2c1.
What is the InChIKey of 3-chloro-2,5-dimethyl-1-benzofuran?
The InChIKey is XPAYNPPQLCWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-6-3-4-9-8(5-6)10(11)7(2)12-9/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethyl-1-benzofuran?
3-chloro-2,5-dimethyl-1-benzofuran has a molecular weight of 180.63 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethyl-1-benzofuran is sourced from PubChem (CID 90163019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).