[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid

C18H21NO4 — CID 148920800

IUPAC[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(CCO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO4/c1-19(18(21)22)17(11-12-20)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,21,22)
InChIKeyDZRPUAOPCGPRIT-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.30
Rot. Bonds7

About [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid

[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid (PubChem CID 148920800) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid
PubChem CID148920800
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(CCO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21NO4/c1-19(18(21)22)17(11-12-20)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,21,22)
InChIKeyDZRPUAOPCGPRIT-UHFFFAOYSA-N
XLogP3.30
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-methyl-N-[1-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 14156768
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 2111801
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 83932925
2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
CID 118954631
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
N,4-dihydroxy-N-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanamide
CID 174676377
ethane;(3R)-3-[2-methyl-3,5-bis(phenylmethoxy)phenoxy]-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 143539382
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid?
The IUPAC name of [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid (CID 148920800) is [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid.
What is the SMILES notation for [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid?
The canonical SMILES for [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid is CN(C(=O)O)C(CCO)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid?
The InChIKey is DZRPUAOPCGPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19(18(21)22)17(11-12-20)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3,(H,21,22).
What are the key properties of [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid?
[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid has a molecular weight of 315.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid is sourced from PubChem (CID 148920800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).