1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol

C10H16O2 — CID 67785895

IUPAC1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C(O)C1(O)C=CC=CC1
InChIInChI=1S/C10H16O2/c1-8(2)9(11)10(12)6-4-3-5-7-10/h3-6,8-9,11-12H,7H2,1-2H3
InChIKeyOCQXDNNYHAXCNX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol

1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67785895) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol
PubChem CID67785895
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C(O)C1(O)C=CC=CC1
InChIInChI=1S/C10H16O2/c1-8(2)9(11)10(12)6-4-3-5-7-10/h3-6,8-9,11-12H,7H2,1-2H3
InChIKeyOCQXDNNYHAXCNX-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol (CID 67785895) is 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol is CC(C)C(O)C1(O)C=CC=CC1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is OCQXDNNYHAXCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)9(11)10(12)6-4-3-5-7-10/h3-6,8-9,11-12H,7H2,1-2H3.
What are the key properties of 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol?
1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67785895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).