2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid

C16H17NO3 — CID 138678237

IUPAC2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C16H17NO3/c18-11-13-4-2-6-15(10-13)14-5-1-3-12(9-14)7-8-17-16(19)20/h1-6,9-10,17-18H,7-8,11H2,(H,19,20)
InChIKeyLJPMXLQVXVREEU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid

2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid (PubChem CID 138678237) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
PubChem CID138678237
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C16H17NO3/c18-11-13-4-2-6-15(10-13)14-5-1-3-12(9-14)7-8-17-16(19)20/h1-6,9-10,17-18H,7-8,11H2,(H,19,20)
InChIKeyLJPMXLQVXVREEU-UHFFFAOYSA-N
XLogP2.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]propylcarbamic acid
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2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
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CID 145072858
2-[3-(2-aminopropyl)phenyl]ethylcarbamic acid
CID 66770095
2-[3-[(4-bromophenyl)methyl]phenyl]ethylcarbamic acid
CID 174162522
benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
CID 67456713
N-chloro-2-(3-phenylphenyl)ethanamine
CID 88912569
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2,4-dioxo-4-[3-(3-phenylphenyl)propylamino]butanoic acid
CID 91929757
4-[3-(hydroxymethyl)phenyl]butanoic acid
CID 123133673
[3-(2-acetamidoethyl)phenyl]carbamic acid
CID 69174088
[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
CID 71173377

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid (CID 138678237) is 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid is O=C(O)NCCc1cccc(-c2cccc(CO)c2)c1.
What is the InChIKey of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid?
The InChIKey is LJPMXLQVXVREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-11-13-4-2-6-15(10-13)14-5-1-3-12(9-14)7-8-17-16(19)20/h1-6,9-10,17-18H,7-8,11H2,(H,19,20).
What are the key properties of 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid?
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid has a molecular weight of 271.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 138678237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).