[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate

C16H17NO3 — CID 21130773

IUPAC[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)Oc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-12-2-4-13(5-3-12)10-17-16(19)20-15-8-6-14(11-18)7-9-15/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyKKPXVUOPEIPSQP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.78
Rot. Bonds4

About [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate

[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate (PubChem CID 21130773) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
PubChem CID21130773
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)Oc2ccc(CO)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-12-2-4-13(5-3-12)10-17-16(19)20-15-8-6-14(11-18)7-9-15/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyKKPXVUOPEIPSQP-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl) N-benzylcarbamate
CID 14292552
(4-methylphenyl) N-[[4-(diaminomethylideneamino)phenyl]methyl]carbamate
CID 58849415
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
[4-[(4-methylphenyl)methylcarbamoyl]phenyl] acetate
CID 854746
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 140752895
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
prop-1-en-2-yl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
CID 70301586
(4-methylphenyl)methanol
CID 138734499

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
The IUPAC name of [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate (CID 21130773) is [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
The canonical SMILES for [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate is Cc1ccc(CNC(=O)Oc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
The InChIKey is KKPXVUOPEIPSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-2-4-13(5-3-12)10-17-16(19)20-15-8-6-14(11-18)7-9-15/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate?
[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 21130773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).