4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

C16H17NO3 — CID 114708803

IUPAC4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)cc1)CC2N
InChIInChI=1S/C16H17NO3/c1-19-12-6-7-13-14(17)9-15(20-16(13)8-12)10-2-4-11(18)5-3-10/h2-8,14-15,18H,9,17H2,1H3
InChIKeyWHJRTCTXLAIHOM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.92
Rot. Bonds2

About 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol

4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol (PubChem CID 114708803) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol.

Molecular Properties

Compound Name4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
PubChem CID114708803
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)cc1)CC2N
InChIInChI=1S/C16H17NO3/c1-19-12-6-7-13-14(17)9-15(20-16(13)8-12)10-2-4-11(18)5-3-10/h2-8,14-15,18H,9,17H2,1H3
InChIKeyWHJRTCTXLAIHOM-UHFFFAOYSA-N
XLogP2.92
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4R)-2-(3-chloro-5-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944855
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
The IUPAC name of 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol (CID 114708803) is 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol.
What is the SMILES notation for 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
The canonical SMILES for 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol is COc1ccc2c(c1)OC(c1ccc(O)cc1)CC2N.
What is the InChIKey of 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
The InChIKey is WHJRTCTXLAIHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-12-6-7-13-14(17)9-15(20-16(13)8-12)10-2-4-11(18)5-3-10/h2-8,14-15,18H,9,17H2,1H3.
What are the key properties of 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol?
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol has a molecular weight of 271.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol is sourced from PubChem (CID 114708803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).