3-methylidene-1-phenylnonan-1-ol

C16H24O — CID 102449396

IUPAC3-methylidene-1-phenylnonan-1-ol
SMILESC=C(CCCCCC)CC(O)c1ccccc1
InChIInChI=1S/C16H24O/c1-3-4-5-7-10-14(2)13-16(17)15-11-8-6-9-12-15/h6,8-9,11-12,16-17H,2-5,7,10,13H2,1H3
InChIKeySPJFZMVDRZBDPI-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.64
Rot. Bonds8

About 3-methylidene-1-phenylnonan-1-ol

3-methylidene-1-phenylnonan-1-ol (PubChem CID 102449396) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methylidene-1-phenylnonan-1-ol.

Molecular Properties

Compound Name3-methylidene-1-phenylnonan-1-ol
PubChem CID102449396
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3-methylidene-1-phenylnonan-1-ol
SMILESC=C(CCCCCC)CC(O)c1ccccc1
InChIInChI=1S/C16H24O/c1-3-4-5-7-10-14(2)13-16(17)15-11-8-6-9-12-15/h6,8-9,11-12,16-17H,2-5,7,10,13H2,1H3
InChIKeySPJFZMVDRZBDPI-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-phenylnonan-1-ol?
The IUPAC name of 3-methylidene-1-phenylnonan-1-ol (CID 102449396) is 3-methylidene-1-phenylnonan-1-ol.
What is the SMILES notation for 3-methylidene-1-phenylnonan-1-ol?
The canonical SMILES for 3-methylidene-1-phenylnonan-1-ol is C=C(CCCCCC)CC(O)c1ccccc1.
What is the InChIKey of 3-methylidene-1-phenylnonan-1-ol?
The InChIKey is SPJFZMVDRZBDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-4-5-7-10-14(2)13-16(17)15-11-8-6-9-12-15/h6,8-9,11-12,16-17H,2-5,7,10,13H2,1H3.
What are the key properties of 3-methylidene-1-phenylnonan-1-ol?
3-methylidene-1-phenylnonan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-phenylnonan-1-ol is sourced from PubChem (CID 102449396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).