2-[4-(hydroxymethyl)phenyl]ethyl carbamate

C10H13NO3 — CID 67217532

IUPAC2-[4-(hydroxymethyl)phenyl]ethyl carbamate
SMILESNC(=O)OCCc1ccc(CO)cc1
InChIInChI=1S/C10H13NO3/c11-10(13)14-6-5-8-1-3-9(7-12)4-2-8/h1-4,12H,5-7H2,(H2,11,13)
InChIKeyVZAZTBFPPFVHIW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-(hydroxymethyl)phenyl]ethyl carbamate

2-[4-(hydroxymethyl)phenyl]ethyl carbamate (PubChem CID 67217532) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]ethyl carbamate.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]ethyl carbamate
PubChem CID67217532
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[4-(hydroxymethyl)phenyl]ethyl carbamate
SMILESNC(=O)OCCc1ccc(CO)cc1
InChIInChI=1S/C10H13NO3/c11-10(13)14-6-5-8-1-3-9(7-12)4-2-8/h1-4,12H,5-7H2,(H2,11,13)
InChIKeyVZAZTBFPPFVHIW-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)ethyl carbamate
CID 90103604
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
2-(1-benzofuran-6-yl)ethyl carbamate
CID 151771491
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
8-phenyloctyl carbamate
CID 67180735
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]ethyl carbamate?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]ethyl carbamate (CID 67217532) is 2-[4-(hydroxymethyl)phenyl]ethyl carbamate.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]ethyl carbamate?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]ethyl carbamate is NC(=O)OCCc1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]ethyl carbamate?
The InChIKey is VZAZTBFPPFVHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-10(13)14-6-5-8-1-3-9(7-12)4-2-8/h1-4,12H,5-7H2,(H2,11,13).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]ethyl carbamate?
2-[4-(hydroxymethyl)phenyl]ethyl carbamate has a molecular weight of 195.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]ethyl carbamate is sourced from PubChem (CID 67217532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).