(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride

C17H22ClNO3 — CID 158222494

IUPAC(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
SMILESCCCN.COc1ccc(C(=O)c2ccccc2)c(O)c1.Cl
InChIInChI=1S/C14H12O3.C3H9N.ClH/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-2-3-4;/h2-9,15H,1H3;2-4H2,1H3;1H
InChIKeyDFABHPWIVIRZNE-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.41
Rot. Bonds4

About (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride (PubChem CID 158222494) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
PubChem CID158222494
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
SMILESCCCN.COc1ccc(C(=O)c2ccccc2)c(O)c1.Cl
InChIInChI=1S/C14H12O3.C3H9N.ClH/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-2-3-4;/h2-9,15H,1H3;2-4H2,1H3;1H
InChIKeyDFABHPWIVIRZNE-UHFFFAOYSA-N
XLogP3.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175499515
CID 175499515
CID 172864174
CID 172864174
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
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CID 158936805
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CID 13466519
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CID 22644201
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
(4-benzoyl-3-hydroxyphenyl) propaneperoxoate
CID 174643093
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
1-amino-3-methyliminourea;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 154963188
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
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CID 21448860

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride?
The IUPAC name of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride (CID 158222494) is (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride.
What is the SMILES notation for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride?
The canonical SMILES for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride is CCCN.COc1ccc(C(=O)c2ccccc2)c(O)c1.Cl.
What is the InChIKey of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride?
The InChIKey is DFABHPWIVIRZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C3H9N.ClH/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10;1-2-3-4;/h2-9,15H,1H3;2-4H2,1H3;1H.
What are the key properties of (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride?
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride is sourced from PubChem (CID 158222494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).