2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid

C18H18ClNO5 — CID 70629750

IUPAC2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid
SMILESCC(=O)OCc1ccc(OCCN(C(=O)O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO5/c1-13(21)25-12-14-2-8-17(9-3-14)24-11-10-20(18(22)23)16-6-4-15(19)5-7-16/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyFDQVQEXZFKGNKN-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.97
Rot. Bonds7

About 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid

2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid (PubChem CID 70629750) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid.

Molecular Properties

Compound Name2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid
PubChem CID70629750
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid
SMILESCC(=O)OCc1ccc(OCCN(C(=O)O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO5/c1-13(21)25-12-14-2-8-17(9-3-14)24-11-10-20(18(22)23)16-6-4-15(19)5-7-16/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyFDQVQEXZFKGNKN-UHFFFAOYSA-N
XLogP3.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propoxyphenyl)methyl acetate
CID 150263336
2-[4-(acetyloxymethyl)phenoxy]ethylcarbamic acid
CID 56998010
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
(4-chlorophenyl)-(3-chloropropyl)carbamic acid
CID 68525676
4-[3-[4-chloro-N-[(4-chlorophenyl)methyl]anilino]propoxy]benzoic acid
CID 14882883
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
(4-chlorophenyl)methyl 3-(4-tert-butylphenoxy)propanoate
CID 2370573
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
methyl 4-[3-(N-carbamoyl-4-chloroanilino)propoxy]benzoate
CID 14882890
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid?
The IUPAC name of 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid (CID 70629750) is 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid.
What is the SMILES notation for 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid?
The canonical SMILES for 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid is CC(=O)OCc1ccc(OCCN(C(=O)O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid?
The InChIKey is FDQVQEXZFKGNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-13(21)25-12-14-2-8-17(9-3-14)24-11-10-20(18(22)23)16-6-4-15(19)5-7-16/h2-9H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid?
2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid has a molecular weight of 363.80 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetyloxymethyl)phenoxy]ethyl-(4-chlorophenyl)carbamic acid is sourced from PubChem (CID 70629750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).