1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol

C16H15ClO2 — CID 13074860

IUPAC1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol
SMILESCC1(C)OC(O)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H15ClO2/c1-15(2)13-5-3-4-6-14(13)16(18,19-15)11-7-9-12(17)10-8-11/h3-10,18H,1-2H3
InChIKeyCYMCENQLVONDSQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.80
Rot. Bonds1

About 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol

1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol (PubChem CID 13074860) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol
PubChem CID13074860
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol
SMILESCC1(C)OC(O)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C16H15ClO2/c1-15(2)13-5-3-4-6-14(13)16(18,19-15)11-7-9-12(17)10-8-11/h3-10,18H,1-2H3
InChIKeyCYMCENQLVONDSQ-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol
CID 15562711
1,3,3-trimethyl-2-benzofuran-1-amine
CID 174795974
(1R,1aR,6R,6aS)-6-(4-chlorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
CID 134997411
2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
CID 60864070
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol
CID 10805108
3-amino-3-(4-chlorophenyl)-1-methylcyclopentan-1-ol
CID 115035314
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinoline
CID 162787257
3-(4-chlorophenyl)-5-hydroxy-4,5-diphenylfuran-2-one
CID 132532149
2-(4-chlorophenyl)-2-methyloxolane
CID 56963782
chlorobenzene;methanol
CID 20549646

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol (CID 13074860) is 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol is CC1(C)OC(O)(c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol?
The InChIKey is CYMCENQLVONDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-15(2)13-5-3-4-6-14(13)16(18,19-15)11-7-9-12(17)10-8-11/h3-10,18H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol?
1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol has a molecular weight of 274.75 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-dimethyl-2-benzofuran-1-ol is sourced from PubChem (CID 13074860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).