[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid

C10H12ClNO4 — CID 68918743

IUPAC[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)cc1OCCCO
InChIInChI=1S/C10H12ClNO4/c11-7-2-3-8(12-10(14)15)9(6-7)16-5-1-4-13/h2-3,6,12-13H,1,4-5H2,(H,14,15)
InChIKeyVTJKTGCEIDCBBR-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.19
Rot. Bonds5

About [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid

[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid (PubChem CID 68918743) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid
PubChem CID68918743
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)cc1OCCCO
InChIInChI=1S/C10H12ClNO4/c11-7-2-3-8(12-10(14)15)9(6-7)16-5-1-4-13/h2-3,6,12-13H,1,4-5H2,(H,14,15)
InChIKeyVTJKTGCEIDCBBR-UHFFFAOYSA-N
XLogP2.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-chloro-2-(3-hydroxy-3-methylbutoxy)phenyl]-2,2-dimethylpropanamide
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[2-[2-(carboxyamino)-5-chlorobenzoyl]oxycarbonyl-4-chlorophenyl]carbamic acid
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2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
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3-(4-chloro-2-nitrophenoxy)propan-1-ol
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4-chloro-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-2-(3-phenylmethoxypropoxy)aniline
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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid?
The IUPAC name of [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid (CID 68918743) is [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid.
What is the SMILES notation for [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid?
The canonical SMILES for [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid is O=C(O)Nc1ccc(Cl)cc1OCCCO.
What is the InChIKey of [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid?
The InChIKey is VTJKTGCEIDCBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c11-7-2-3-8(12-10(14)15)9(6-7)16-5-1-4-13/h2-3,6,12-13H,1,4-5H2,(H,14,15).
What are the key properties of [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid?
[4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid has a molecular weight of 245.66 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-hydroxypropoxy)phenyl]carbamic acid is sourced from PubChem (CID 68918743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).