(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol

C18H17ClO2 — CID 114723424

IUPAC(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClO2/c1-11(2)12-3-5-13(6-4-12)18(20)17-10-14-9-15(19)7-8-16(14)21-17/h3-11,18,20H,1-2H3
InChIKeyUDLWIJPWBBYUBS-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.29
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol

(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 114723424) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID114723424
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClO2/c1-11(2)12-3-5-13(6-4-12)18(20)17-10-14-9-15(19)7-8-16(14)21-17/h3-11,18,20H,1-2H3
InChIKeyUDLWIJPWBBYUBS-UHFFFAOYSA-N
XLogP5.29
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methoxyphenyl)methanol
CID 114723930
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(3-bromo-4-methoxyphenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114723297
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
CID 114732842
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114724822
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol (CID 114723424) is (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is UDLWIJPWBBYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-11(2)12-3-5-13(6-4-12)18(20)17-10-14-9-15(19)7-8-16(14)21-17/h3-11,18,20H,1-2H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 300.79 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 114723424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).