5-methylidene-3-phenylhept-6-en-3-ol

C14H18O — CID 90476881

IUPAC5-methylidene-3-phenylhept-6-en-3-ol
SMILESC=CC(=C)CC(O)(CC)c1ccccc1
InChIInChI=1S/C14H18O/c1-4-12(3)11-14(15,5-2)13-9-7-6-8-10-13/h4,6-10,15H,1,3,5,11H2,2H3
InChIKeyWPSCHDLKCBWLIC-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.42
Rot. Bonds5

About 5-methylidene-3-phenylhept-6-en-3-ol

5-methylidene-3-phenylhept-6-en-3-ol (PubChem CID 90476881) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-methylidene-3-phenylhept-6-en-3-ol.

Molecular Properties

Compound Name5-methylidene-3-phenylhept-6-en-3-ol
PubChem CID90476881
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name5-methylidene-3-phenylhept-6-en-3-ol
SMILESC=CC(=C)CC(O)(CC)c1ccccc1
InChIInChI=1S/C14H18O/c1-4-12(3)11-14(15,5-2)13-9-7-6-8-10-13/h4,6-10,15H,1,3,5,11H2,2H3
InChIKeyWPSCHDLKCBWLIC-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
2-methyl-3-phenylpent-1-en-3-ol
CID 79189457
2-phenyl-4-trimethylstannylpent-4-en-2-ol
CID 14290604
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
5-methyl-3-phenylhex-5-ene-1,3-diol
CID 90346624
1-phenylbut-3-ene-1,1-diol
CID 134892936
carbonic acid;1-phenylpropane-1,1-diol
CID 158239997
3-methylpent-1-yn-3-ol;2-phenylbut-3-yn-2-ol
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CID 67792118

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-phenylhept-6-en-3-ol?
The IUPAC name of 5-methylidene-3-phenylhept-6-en-3-ol (CID 90476881) is 5-methylidene-3-phenylhept-6-en-3-ol.
What is the SMILES notation for 5-methylidene-3-phenylhept-6-en-3-ol?
The canonical SMILES for 5-methylidene-3-phenylhept-6-en-3-ol is C=CC(=C)CC(O)(CC)c1ccccc1.
What is the InChIKey of 5-methylidene-3-phenylhept-6-en-3-ol?
The InChIKey is WPSCHDLKCBWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-12(3)11-14(15,5-2)13-9-7-6-8-10-13/h4,6-10,15H,1,3,5,11H2,2H3.
What are the key properties of 5-methylidene-3-phenylhept-6-en-3-ol?
5-methylidene-3-phenylhept-6-en-3-ol has a molecular weight of 202.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-phenylhept-6-en-3-ol is sourced from PubChem (CID 90476881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).