[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid

C11H14ClNO3 — CID 91405796

IUPAC[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(Cc1ccc(O)c(Cl)c1)NC(=O)O
InChIInChI=1S/C11H14ClNO3/c1-11(2,13-10(15)16)6-7-3-4-9(14)8(12)5-7/h3-5,13-14H,6H2,1-2H3,(H,15,16)
InChIKeyBXBUNAYSLJHBGR-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.63
Rot. Bonds3

About [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid

[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid (PubChem CID 91405796) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
PubChem CID91405796
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(Cc1ccc(O)c(Cl)c1)NC(=O)O
InChIInChI=1S/C11H14ClNO3/c1-11(2,13-10(15)16)6-7-3-4-9(14)8(12)5-7/h3-5,13-14H,6H2,1-2H3,(H,15,16)
InChIKeyBXBUNAYSLJHBGR-UHFFFAOYSA-N
XLogP2.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid (CID 91405796) is [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid is CC(C)(Cc1ccc(O)c(Cl)c1)NC(=O)O.
What is the InChIKey of [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
The InChIKey is BXBUNAYSLJHBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-11(2,13-10(15)16)6-7-3-4-9(14)8(12)5-7/h3-5,13-14H,6H2,1-2H3,(H,15,16).
What are the key properties of [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid?
[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid has a molecular weight of 243.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 91405796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).