(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

C17H17ClO3 — CID 104949102

IUPAC(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1ccccc1C1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClO3/c1-20-10-11-4-2-3-5-13(11)17-9-15(19)14-8-12(18)6-7-16(14)21-17/h2-8,15,17,19H,9-10H2,1H3/t15-,17?/m1/s1
InChIKeyXHXJUILBPVUTPD-LDCVWXEPSA-N
MW304.77 g/mol
LogP4.04
Rot. Bonds3

About (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol

(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949102) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949102
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
SMILESCOCc1ccccc1C1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClO3/c1-20-10-11-4-2-3-5-13(11)17-9-15(19)14-8-12(18)6-7-16(14)21-17/h2-8,15,17,19H,9-10H2,1H3/t15-,17?/m1/s1
InChIKeyXHXJUILBPVUTPD-LDCVWXEPSA-N
XLogP4.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 114714858
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
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
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949776
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-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol (CID 104949102) is (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is COCc1ccccc1C1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XHXJUILBPVUTPD-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-10-11-4-2-3-5-13(11)17-9-15(19)14-8-12(18)6-7-16(14)21-17/h2-8,15,17,19H,9-10H2,1H3/t15-,17?/m1/s1.
What are the key properties of (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 304.77 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).