2-[(E)-2-methylhept-3-en-2-yl]phenol

C14H20O — CID 142735625

IUPAC2-[(E)-2-methylhept-3-en-2-yl]phenol
SMILESCCC/C=C/C(C)(C)c1ccccc1O
InChIInChI=1S/C14H20O/c1-4-5-8-11-14(2,3)12-9-6-7-10-13(12)15/h6-11,15H,4-5H2,1-3H3/b11-8+
InChIKeyDXDHBFNSSPYVIZ-DHZHZOJOSA-N
MW204.31 g/mol
LogP4.03
Rot. Bonds4

About 2-[(E)-2-methylhept-3-en-2-yl]phenol

2-[(E)-2-methylhept-3-en-2-yl]phenol (PubChem CID 142735625) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[(E)-2-methylhept-3-en-2-yl]phenol.

Molecular Properties

Compound Name2-[(E)-2-methylhept-3-en-2-yl]phenol
PubChem CID142735625
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[(E)-2-methylhept-3-en-2-yl]phenol
SMILESCCC/C=C/C(C)(C)c1ccccc1O
InChIInChI=1S/C14H20O/c1-4-5-8-11-14(2,3)12-9-6-7-10-13(12)15/h6-11,15H,4-5H2,1-3H3/b11-8+
InChIKeyDXDHBFNSSPYVIZ-DHZHZOJOSA-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 2-[(E)-2-methylhept-3-en-2-yl]phenol?
The IUPAC name of 2-[(E)-2-methylhept-3-en-2-yl]phenol (CID 142735625) is 2-[(E)-2-methylhept-3-en-2-yl]phenol.
What is the SMILES notation for 2-[(E)-2-methylhept-3-en-2-yl]phenol?
The canonical SMILES for 2-[(E)-2-methylhept-3-en-2-yl]phenol is CCC/C=C/C(C)(C)c1ccccc1O.
What is the InChIKey of 2-[(E)-2-methylhept-3-en-2-yl]phenol?
The InChIKey is DXDHBFNSSPYVIZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-8-11-14(2,3)12-9-6-7-10-13(12)15/h6-11,15H,4-5H2,1-3H3/b11-8+.
What are the key properties of 2-[(E)-2-methylhept-3-en-2-yl]phenol?
2-[(E)-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 2-[(E)-2-methylhept-3-en-2-yl]phenol is sourced from PubChem (CID 142735625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).