4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol

C16H16ClNO3 — CID 104946997

IUPAC4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
SMILESCOc1ccc2c(c1)[C@H](N)CC(c1ccc(O)c(Cl)c1)O2
InChIInChI=1S/C16H16ClNO3/c1-20-10-3-5-15-11(7-10)13(18)8-16(21-15)9-2-4-14(19)12(17)6-9/h2-7,13,16,19H,8,18H2,1H3/t13-,16?/m1/s1
InChIKeyURGJSIYBTWANSL-JBZHPUCOSA-N
MW305.76 g/mol
LogP3.58
Rot. Bonds2

About 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol

4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol (PubChem CID 104946997) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
PubChem CID104946997
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
SMILESCOc1ccc2c(c1)[C@H](N)CC(c1ccc(O)c(Cl)c1)O2
InChIInChI=1S/C16H16ClNO3/c1-20-10-3-5-15-11(7-10)13(18)8-16(21-15)9-2-4-14(19)12(17)6-9/h2-7,13,16,19H,8,18H2,1H3/t13-,16?/m1/s1
InChIKeyURGJSIYBTWANSL-JBZHPUCOSA-N
XLogP3.58
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947108
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
(4S)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404455
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
(4R)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404456
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945215
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
(4S)-2-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946403
(4R)-2-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol?
The IUPAC name of 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol (CID 104946997) is 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol.
What is the SMILES notation for 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol?
The canonical SMILES for 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol is COc1ccc2c(c1)[C@H](N)CC(c1ccc(O)c(Cl)c1)O2.
What is the InChIKey of 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol?
The InChIKey is URGJSIYBTWANSL-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-10-3-5-15-11(7-10)13(18)8-16(21-15)9-2-4-14(19)12(17)6-9/h2-7,13,16,19H,8,18H2,1H3/t13-,16?/m1/s1.
What are the key properties of 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol?
4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol has a molecular weight of 305.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol is sourced from PubChem (CID 104946997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).