[4-(2-propoxyphenyl)phenyl]methylcarbamic acid

C17H19NO3 — CID 67457846

IUPAC[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
SMILESCCCOc1ccccc1-c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-2-11-21-16-6-4-3-5-15(16)14-9-7-13(8-10-14)12-18-17(19)20/h3-10,18H,2,11-12H2,1H3,(H,19,20)
InChIKeyVLDWQIXFILAEGO-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.91
Rot. Bonds6

About [4-(2-propoxyphenyl)phenyl]methylcarbamic acid

[4-(2-propoxyphenyl)phenyl]methylcarbamic acid (PubChem CID 67457846) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [4-(2-propoxyphenyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
PubChem CID67457846
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
SMILESCCCOc1ccccc1-c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C17H19NO3/c1-2-11-21-16-6-4-3-5-15(16)14-9-7-13(8-10-14)12-18-17(19)20/h3-10,18H,2,11-12H2,1H3,(H,19,20)
InChIKeyVLDWQIXFILAEGO-UHFFFAOYSA-N
XLogP3.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-phenylphenoxy)-N-propylacetamide
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1-octadecoxy-2-phenylbenzene
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2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
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N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
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ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573

Frequently Asked Questions

What is the IUPAC name of [4-(2-propoxyphenyl)phenyl]methylcarbamic acid?
The IUPAC name of [4-(2-propoxyphenyl)phenyl]methylcarbamic acid (CID 67457846) is [4-(2-propoxyphenyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(2-propoxyphenyl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-(2-propoxyphenyl)phenyl]methylcarbamic acid is CCCOc1ccccc1-c1ccc(CNC(=O)O)cc1.
What is the InChIKey of [4-(2-propoxyphenyl)phenyl]methylcarbamic acid?
The InChIKey is VLDWQIXFILAEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-11-21-16-6-4-3-5-15(16)14-9-7-13(8-10-14)12-18-17(19)20/h3-10,18H,2,11-12H2,1H3,(H,19,20).
What are the key properties of [4-(2-propoxyphenyl)phenyl]methylcarbamic acid?
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid has a molecular weight of 285.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propoxyphenyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 67457846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).