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

C16H15ClO3 — CID 104951026

IUPAC(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H15ClO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,14,16,18H,9H2,1H3/t14-,16?/m1/s1
InChIKeyCWDLVNXPUDAQEY-IURRXHLWSA-N
MW290.75 g/mol
LogP3.91
Rot. Bonds2

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

(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951026) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951026
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H15ClO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,14,16,18H,9H2,1H3/t14-,16?/m1/s1
InChIKeyCWDLVNXPUDAQEY-IURRXHLWSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951048
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 104951026) is (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@H](O)CC(c1ccc(Cl)cc1)O2.
What is the InChIKey of (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CWDLVNXPUDAQEY-IURRXHLWSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,14,16,18H,9H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 290.75 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).