(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate

C12H14ClNO2 — CID 71409311

IUPAC(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate
SMILESCC(C)c1ccccc1OC(=O)NC=CCl
InChIInChI=1S/C12H14ClNO2/c1-9(2)10-5-3-4-6-11(10)16-12(15)14-8-7-13/h3-9H,1-2H3,(H,14,15)
InChIKeyRVFMWBTXFNDGSQ-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.61
Rot. Bonds3

About (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate

(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate (PubChem CID 71409311) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate
PubChem CID71409311
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate
SMILESCC(C)c1ccccc1OC(=O)NC=CCl
InChIInChI=1S/C12H14ClNO2/c1-9(2)10-5-3-4-6-11(10)16-12(15)14-8-7-13/h3-9H,1-2H3,(H,14,15)
InChIKeyRVFMWBTXFNDGSQ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71409261
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(2-propan-2-ylphenyl) 2-hydroxybenzoate
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(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
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(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
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(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate
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1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
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1-O-ethyl 3-O-(2-propan-2-ylphenyl) 2-ethylpropanedioate
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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate?
The IUPAC name of (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate (CID 71409311) is (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate.
What is the SMILES notation for (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate?
The canonical SMILES for (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate is CC(C)c1ccccc1OC(=O)NC=CCl.
What is the InChIKey of (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate?
The InChIKey is RVFMWBTXFNDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-9(2)10-5-3-4-6-11(10)16-12(15)14-8-7-13/h3-9H,1-2H3,(H,14,15).
What are the key properties of (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate?
(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate has a molecular weight of 239.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate is sourced from PubChem (CID 71409311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).