4-(2-methylhept-3-en-2-yl)phenol

C14H20O — CID 174795362

IUPAC4-(2-methylhept-3-en-2-yl)phenol
SMILESCCCC=CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H20O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12/h6-11,15H,4-5H2,1-3H3
InChIKeyUFAQSBYCLSCBIT-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.03
Rot. Bonds4

About 4-(2-methylhept-3-en-2-yl)phenol

4-(2-methylhept-3-en-2-yl)phenol (PubChem CID 174795362) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(2-methylhept-3-en-2-yl)phenol.

Molecular Properties

Compound Name4-(2-methylhept-3-en-2-yl)phenol
PubChem CID174795362
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-(2-methylhept-3-en-2-yl)phenol
SMILESCCCC=CC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H20O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12/h6-11,15H,4-5H2,1-3H3
InChIKeyUFAQSBYCLSCBIT-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhept-3-en-2-yl)phenol?
The IUPAC name of 4-(2-methylhept-3-en-2-yl)phenol (CID 174795362) is 4-(2-methylhept-3-en-2-yl)phenol.
What is the SMILES notation for 4-(2-methylhept-3-en-2-yl)phenol?
The canonical SMILES for 4-(2-methylhept-3-en-2-yl)phenol is CCCC=CC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-(2-methylhept-3-en-2-yl)phenol?
The InChIKey is UFAQSBYCLSCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12/h6-11,15H,4-5H2,1-3H3.
What are the key properties of 4-(2-methylhept-3-en-2-yl)phenol?
4-(2-methylhept-3-en-2-yl)phenol has a molecular weight of 204.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhept-3-en-2-yl)phenol is sourced from PubChem (CID 174795362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).