2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C16H15ClO2 — CID 114715194

IUPAC2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H15ClO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-8,14,16,18H,9H2,1H3
InChIKeyRDKCQMAJDDIMBN-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.21
Rot. Bonds1

About 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715194) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715194
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H15ClO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-8,14,16,18H,9H2,1H3
InChIKeyRDKCQMAJDDIMBN-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715244
6-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715181
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
(4R)-2-[4-(difluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950334
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 114715194) is 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)CC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is RDKCQMAJDDIMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-8,14,16,18H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 274.75 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).