benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid

C16H17NO3 — CID 142890889

IUPACbenzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
SMILESO=C(O)N(CCc1ccc(O)cc1)Cc1ccccc1
InChIInChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17(16(19)20)12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,19,20)
InChIKeyRELLMAYUVRZPFW-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.11
Rot. Bonds5

About benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid

benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid (PubChem CID 142890889) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
PubChem CID142890889
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
SMILESO=C(O)N(CCc1ccc(O)cc1)Cc1ccccc1
InChIInChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17(16(19)20)12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,19,20)
InChIKeyRELLMAYUVRZPFW-UHFFFAOYSA-N
XLogP3.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
CID 143540214
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
(4-hydroxyphenyl)methyl-propylcarbamic acid
CID 69013096
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
4-[benzyl(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 6735055
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
N-benzyl-N-(2-bromoethyl)-4-hydroxybenzamide
CID 80663058
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid?
The IUPAC name of benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid (CID 142890889) is benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid.
What is the SMILES notation for benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid?
The canonical SMILES for benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid is O=C(O)N(CCc1ccc(O)cc1)Cc1ccccc1.
What is the InChIKey of benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid?
The InChIKey is RELLMAYUVRZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-8-6-13(7-9-15)10-11-17(16(19)20)12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,19,20).
What are the key properties of benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid?
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid has a molecular weight of 271.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid is sourced from PubChem (CID 142890889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).