[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid

C10H12ClNO3 — CID 71254796

IUPAC[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NC(CCO)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3/c11-8-3-1-2-7(6-8)9(4-5-13)12-10(14)15/h1-3,6,9,12-13H,4-5H2,(H,14,15)
InChIKeyKHIDEAVCQOAJOZ-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.03
Rot. Bonds4

About [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid

[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid (PubChem CID 71254796) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
PubChem CID71254796
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NC(CCO)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3/c11-8-3-1-2-7(6-8)9(4-5-13)12-10(14)15/h1-3,6,9,12-13H,4-5H2,(H,14,15)
InChIKeyKHIDEAVCQOAJOZ-UHFFFAOYSA-N
XLogP2.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-amino-1-(3-chlorophenyl)propyl]propanamide
CID 142183594
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
1-(3-chlorophenyl)prop-2-enylcarbamic acid
CID 89405869
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587
N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
CID 97014806
tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
CID 146479429
3-(3-chlorophenyl)butanoic acid
CID 71683749
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid?
The IUPAC name of [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid (CID 71254796) is [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid?
The canonical SMILES for [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid is O=C(O)NC(CCO)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid?
The InChIKey is KHIDEAVCQOAJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-8-3-1-2-7(6-8)9(4-5-13)12-10(14)15/h1-3,6,9,12-13H,4-5H2,(H,14,15).
What are the key properties of [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid?
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid has a molecular weight of 229.66 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 71254796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).