2-methyl-7-phenylhept-2-en-4-ol

C14H20O — CID 71663928

IUPAC2-methyl-7-phenylhept-2-en-4-ol
SMILESCC(C)=CC(O)CCCc1ccccc1
InChIInChI=1S/C14H20O/c1-12(2)11-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3
InChIKeyGAKYYPYPVNQKNJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-7-phenylhept-2-en-4-ol

2-methyl-7-phenylhept-2-en-4-ol (PubChem CID 71663928) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-7-phenylhept-2-en-4-ol.

Molecular Properties

Compound Name2-methyl-7-phenylhept-2-en-4-ol
PubChem CID71663928
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methyl-7-phenylhept-2-en-4-ol
SMILESCC(C)=CC(O)CCCc1ccccc1
InChIInChI=1S/C14H20O/c1-12(2)11-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3
InChIKeyGAKYYPYPVNQKNJ-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
3-methyl-6-phenylhexan-2-ol
CID 54498182
2-methyl-7-phenylheptan-3-ol
CID 10976646
(2R)-5-phenylpentane-1,2-diol
CID 102483629
4-methyl-7-phenylheptan-2-ol
CID 64718783
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
3-methyl-6-phenylhexan-2-one
CID 59396975
(3R,5R)-8-phenyloct-1-ene-3,5-diol
CID 118075336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenylhept-2-en-4-ol?
The IUPAC name of 2-methyl-7-phenylhept-2-en-4-ol (CID 71663928) is 2-methyl-7-phenylhept-2-en-4-ol.
What is the SMILES notation for 2-methyl-7-phenylhept-2-en-4-ol?
The canonical SMILES for 2-methyl-7-phenylhept-2-en-4-ol is CC(C)=CC(O)CCCc1ccccc1.
What is the InChIKey of 2-methyl-7-phenylhept-2-en-4-ol?
The InChIKey is GAKYYPYPVNQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-12(2)11-14(15)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11,14-15H,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-7-phenylhept-2-en-4-ol?
2-methyl-7-phenylhept-2-en-4-ol has a molecular weight of 204.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenylhept-2-en-4-ol is sourced from PubChem (CID 71663928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).