1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol

C18H17ClO2 — CID 105129392

IUPAC1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClO2/c1-12-2-4-13(5-3-12)6-8-16(20)18-11-14-10-15(19)7-9-17(14)21-18/h2-5,7,9-11,16,20H,6,8H2,1H3
InChIKeyGMVWFYVGJXVPEK-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.06
Rot. Bonds4

About 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol

1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 105129392) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
PubChem CID105129392
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClO2/c1-12-2-4-13(5-3-12)6-8-16(20)18-11-14-10-15(19)7-9-17(14)21-18/h2-5,7,9-11,16,20H,6,8H2,1H3
InChIKeyGMVWFYVGJXVPEK-UHFFFAOYSA-N
XLogP5.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 105129193
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol (CID 105129392) is 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CCC(O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is GMVWFYVGJXVPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-12-2-4-13(5-3-12)6-8-16(20)18-11-14-10-15(19)7-9-17(14)21-18/h2-5,7,9-11,16,20H,6,8H2,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol?
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105129392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).