2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid

C11H20O3 — CID 83908321

IUPAC2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
SMILESCC(C)C1CCCC(O)(CC(=O)O)C1
InChIInChI=1S/C11H20O3/c1-8(2)9-4-3-5-11(14,6-9)7-10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyIZWCBMJJIXVVMQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds3

About 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid

2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid (PubChem CID 83908321) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
PubChem CID83908321
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
SMILESCC(C)C1CCCC(O)(CC(=O)O)C1
InChIInChI=1S/C11H20O3/c1-8(2)9-4-3-5-11(14,6-9)7-10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyIZWCBMJJIXVVMQ-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
CID 107449756
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
2-[1-(2-aminopropan-2-yl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66092109
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2-[(1S,3S)-1-hydroxy-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclohexyl]acetic acid
CID 101014594
2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
CID 79851479
2-[(1S,3S)-1-hydroxy-3-[(E,3S)-3-hydroxyundec-1-enyl]cyclohexyl]acetic acid
CID 101014577
2-[(1S,3R)-1-hydroxy-3-[(E,3R)-3-hydroxyundec-1-enyl]cyclohexyl]acetic acid
CID 101014583
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
CID 107449674

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid (CID 83908321) is 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid is CC(C)C1CCCC(O)(CC(=O)O)C1.
What is the InChIKey of 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid?
The InChIKey is IZWCBMJJIXVVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)9-4-3-5-11(14,6-9)7-10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid?
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid is sourced from PubChem (CID 83908321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).