[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid

C15H23NO4 — CID 69108132

IUPAC[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid
SMILESCOc1cccc(C(O)CC(NC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-15(2,3)13(16-14(18)19)9-12(17)10-6-5-7-11(8-10)20-4/h5-8,12-13,16-17H,9H2,1-4H3,(H,18,19)
InChIKeyNDCDSDJZLYFXBM-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.80
Rot. Bonds5

About [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid

[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid (PubChem CID 69108132) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid
PubChem CID69108132
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid
SMILESCOc1cccc(C(O)CC(NC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-15(2,3)13(16-14(18)19)9-12(17)10-6-5-7-11(8-10)20-4/h5-8,12-13,16-17H,9H2,1-4H3,(H,18,19)
InChIKeyNDCDSDJZLYFXBM-UHFFFAOYSA-N
XLogP2.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-(3-methoxyphenyl)-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114900161
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
(2S)-2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3,3-dimethylbutanamide
CID 111750584
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid?
The IUPAC name of [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid (CID 69108132) is [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid is COc1cccc(C(O)CC(NC(=O)O)C(C)(C)C)c1.
What is the InChIKey of [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid?
The InChIKey is NDCDSDJZLYFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)13(16-14(18)19)9-12(17)10-6-5-7-11(8-10)20-4/h5-8,12-13,16-17H,9H2,1-4H3,(H,18,19).
What are the key properties of [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid?
[1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid has a molecular weight of 281.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-yl]carbamic acid is sourced from PubChem (CID 69108132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).