6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

C16H15ClO2 — CID 114714567

IUPAC6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccccc1C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H15ClO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,14,16,18H,9H2,1H3
InChIKeyQAFAWIDPFISEDH-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.21
Rot. Bonds1

About 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714567) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714567
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccccc1C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H15ClO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,14,16,18H,9H2,1H3
InChIKeyQAFAWIDPFISEDH-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

6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949102
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
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
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714567) is 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccccc1C1CC(O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is QAFAWIDPFISEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,14,16,18H,9H2,1H3.
What are the key properties of 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(2-methylphenyl)-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 6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).