4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol

C20H34O2 — CID 54408422

IUPAC4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol
SMILESCCC(C)C1CCC(O)CC1.CCC(C)c1ccc(O)cc1
InChIInChI=1S/C10H20O.C10H14O/c2*1-3-8(2)9-4-6-10(11)7-5-9/h8-11H,3-7H2,1-2H3;4-8,11H,3H2,1-2H3
InChIKeyVSJWQISWQPEFTD-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.49
Rot. Bonds4

About 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol

4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol (PubChem CID 54408422) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol.

Molecular Properties

Compound Name4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol
PubChem CID54408422
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol
SMILESCCC(C)C1CCC(O)CC1.CCC(C)c1ccc(O)cc1
InChIInChI=1S/C10H20O.C10H14O/c2*1-3-8(2)9-4-6-10(11)7-5-9/h8-11H,3-7H2,1-2H3;4-8,11H,3H2,1-2H3
InChIKeyVSJWQISWQPEFTD-UHFFFAOYSA-N
XLogP5.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
Dienestrol
CID 667476
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
4,4'-Dihydroxybiphenyl
CID 7112
Masoprocol
CID 71398

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol?
The IUPAC name of 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol (CID 54408422) is 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol.
What is the SMILES notation for 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol?
The canonical SMILES for 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol is CCC(C)C1CCC(O)CC1.CCC(C)c1ccc(O)cc1.
What is the InChIKey of 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol?
The InChIKey is VSJWQISWQPEFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C10H14O/c2*1-3-8(2)9-4-6-10(11)7-5-9/h8-11H,3-7H2,1-2H3;4-8,11H,3H2,1-2H3.
What are the key properties of 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol?
4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol has a molecular weight of 306.49 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol is sourced from PubChem (CID 54408422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).