[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid

C17H17Cl2NO4 — CID 118675649

IUPAC[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid
SMILESCOc1ccccc1C(O)C(CNC(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO4/c1-24-15-5-3-2-4-11(15)16(21)12(9-20-17(22)23)10-6-7-13(18)14(19)8-10/h2-8,12,16,20-21H,9H2,1H3,(H,22,23)
InChIKeyYKZFZKHBABCRSC-UHFFFAOYSA-N
MW370.23 g/mol
LogP4.09
Rot. Bonds6

About [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid

[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid (PubChem CID 118675649) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid
PubChem CID118675649
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid
SMILESCOc1ccccc1C(O)C(CNC(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO4/c1-24-15-5-3-2-4-11(15)16(21)12(9-20-17(22)23)10-6-7-13(18)14(19)8-10/h2-8,12,16,20-21H,9H2,1H3,(H,22,23)
InChIKeyYKZFZKHBABCRSC-UHFFFAOYSA-N
XLogP4.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-2-(3,4-dichlorophenyl)-3-hydroxy-3-phenylpropyl]carbamic acid
CID 118675734
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
ethyl (2R,3S)-2-cyano-3-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)propanoate
CID 129386184
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
1-(3,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388533
1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3912118
ethyl N-[2-(4-chlorophenyl)-3-hydroxy-3-phenylpropyl]carbamate
CID 118675481
[(2S,3S)-2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methylsulfanylphenyl)propyl]-methylcarbamic acid
CID 118675680
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
ethyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 172863601
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate
CID 131740477

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid?
The IUPAC name of [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid (CID 118675649) is [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid?
The canonical SMILES for [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid is COc1ccccc1C(O)C(CNC(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid?
The InChIKey is YKZFZKHBABCRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-24-15-5-3-2-4-11(15)16(21)12(9-20-17(22)23)10-6-7-13(18)14(19)8-10/h2-8,12,16,20-21H,9H2,1H3,(H,22,23).
What are the key properties of [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid?
[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid has a molecular weight of 370.23 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid is sourced from PubChem (CID 118675649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).