(4-phenoxycyclohexyl) carbamate

C13H17NO3 — CID 69191754

IUPAC(4-phenoxycyclohexyl) carbamate
SMILESNC(=O)OC1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c14-13(15)17-12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,14,15)
InChIKeyXLVQNMFCXCQHQD-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.47
Rot. Bonds3

About (4-phenoxycyclohexyl) carbamate

(4-phenoxycyclohexyl) carbamate (PubChem CID 69191754) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-phenoxycyclohexyl) carbamate.

Molecular Properties

Compound Name(4-phenoxycyclohexyl) carbamate
PubChem CID69191754
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-phenoxycyclohexyl) carbamate
SMILESNC(=O)OC1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c14-13(15)17-12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,14,15)
InChIKeyXLVQNMFCXCQHQD-UHFFFAOYSA-N
XLogP2.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxycyclohexyl) carbamate?
The IUPAC name of (4-phenoxycyclohexyl) carbamate (CID 69191754) is (4-phenoxycyclohexyl) carbamate.
What is the SMILES notation for (4-phenoxycyclohexyl) carbamate?
The canonical SMILES for (4-phenoxycyclohexyl) carbamate is NC(=O)OC1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (4-phenoxycyclohexyl) carbamate?
The InChIKey is XLVQNMFCXCQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-13(15)17-12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,14,15).
What are the key properties of (4-phenoxycyclohexyl) carbamate?
(4-phenoxycyclohexyl) carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxycyclohexyl) carbamate is sourced from PubChem (CID 69191754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).