(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

C16H16ClNO2 — CID 114744548

IUPAC(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESNc1cc(Cl)ccc1C(O)c1cccc2c1OCCC2
InChIInChI=1S/C16H16ClNO2/c17-11-6-7-12(14(18)9-11)15(19)13-5-1-3-10-4-2-8-20-16(10)13/h1,3,5-7,9,15,19H,2,4,8,18H2
InChIKeyZUNZIUUGMVWHBU-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.33
Rot. Bonds2

About (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (PubChem CID 114744548) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
PubChem CID114744548
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESNc1cc(Cl)ccc1C(O)c1cccc2c1OCCC2
InChIInChI=1S/C16H16ClNO2/c17-11-6-7-12(14(18)9-11)15(19)13-5-1-3-10-4-2-8-20-16(10)13/h1,3,5-7,9,15,19H,2,4,8,18H2
InChIKeyZUNZIUUGMVWHBU-UHFFFAOYSA-N
XLogP3.33
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
CID 114744615
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The IUPAC name of (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (CID 114744548) is (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The canonical SMILES for (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is Nc1cc(Cl)ccc1C(O)c1cccc2c1OCCC2.
What is the InChIKey of (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The InChIKey is ZUNZIUUGMVWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-11-6-7-12(14(18)9-11)15(19)13-5-1-3-10-4-2-8-20-16(10)13/h1,3,5-7,9,15,19H,2,4,8,18H2.
What are the key properties of (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol has a molecular weight of 289.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is sourced from PubChem (CID 114744548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).