[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate

C17H18ClNO3 — CID 14727335

IUPAC[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate
SMILESCCC(O)(c1ccc(Cl)cc1)c1ccc(OC(=O)NC)cc1
InChIInChI=1S/C17H18ClNO3/c1-3-17(21,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)22-16(20)19-2/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyBDLXFEXOMDVMSK-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.70
Rot. Bonds4

About [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate

[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate (PubChem CID 14727335) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate
PubChem CID14727335
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate
SMILESCCC(O)(c1ccc(Cl)cc1)c1ccc(OC(=O)NC)cc1
InChIInChI=1S/C17H18ClNO3/c1-3-17(21,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)22-16(20)19-2/h4-11,21H,3H2,1-2H3,(H,19,20)
InChIKeyBDLXFEXOMDVMSK-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate?
The IUPAC name of [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate (CID 14727335) is [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate?
The canonical SMILES for [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate is CCC(O)(c1ccc(Cl)cc1)c1ccc(OC(=O)NC)cc1.
What is the InChIKey of [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate?
The InChIKey is BDLXFEXOMDVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-3-17(21,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)22-16(20)19-2/h4-11,21H,3H2,1-2H3,(H,19,20).
What are the key properties of [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate?
[4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate has a molecular weight of 319.79 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)-1-hydroxypropyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 14727335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).