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

C18H17ClO2 — CID 114714604

IUPAC6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(C3CC3)cc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClO2/c19-14-7-8-17-15(9-14)16(20)10-18(21-17)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16,18,20H,1-2,10H2
InChIKeyPFYUMTNVBQNFRM-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.77
Rot. Bonds2

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

6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714604) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714604
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(C3CC3)cc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H17ClO2/c19-14-7-8-17-15(9-14)16(20)10-18(21-17)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16,18,20H,1-2,10H2
InChIKeyPFYUMTNVBQNFRM-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
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
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949002
(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949177
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714604) is 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccc(C3CC3)cc2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PFYUMTNVBQNFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c19-14-7-8-17-15(9-14)16(20)10-18(21-17)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,16,18,20H,1-2,10H2.
What are the key properties of 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 300.79 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).