5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol

C17H24O — CID 135039340

IUPAC5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol
SMILESC=CC(C)CCC(C(=C)C)C(O)c1ccccc1
InChIInChI=1S/C17H24O/c1-5-14(4)11-12-16(13(2)3)17(18)15-9-7-6-8-10-15/h5-10,14,16-18H,1-2,11-12H2,3-4H3
InChIKeyBXRCPZDCLIRXTC-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.51
Rot. Bonds7

About 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol

5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol (PubChem CID 135039340) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol.

Molecular Properties

Compound Name5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol
PubChem CID135039340
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol
SMILESC=CC(C)CCC(C(=C)C)C(O)c1ccccc1
InChIInChI=1S/C17H24O/c1-5-14(4)11-12-16(13(2)3)17(18)15-9-7-6-8-10-15/h5-10,14,16-18H,1-2,11-12H2,3-4H3
InChIKeyBXRCPZDCLIRXTC-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.51
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

5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol
CID 173354014
(1R,2S)-2-ethenyl-4-methyl-1-phenylpentan-1-ol
CID 139262045
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143
(1R,2S,4S)-1-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-2-methyl-1-phenylheptan-3-one
CID 177426345
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
ethene;2-methyl-1-phenyl-3-sulfanylbut-3-en-1-ol
CID 142008982
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol?
The IUPAC name of 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol (CID 135039340) is 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol.
What is the SMILES notation for 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol?
The canonical SMILES for 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol is C=CC(C)CCC(C(=C)C)C(O)c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol?
The InChIKey is BXRCPZDCLIRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-5-14(4)11-12-16(13(2)3)17(18)15-9-7-6-8-10-15/h5-10,14,16-18H,1-2,11-12H2,3-4H3.
What are the key properties of 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol?
5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-2-prop-1-en-2-ylhept-6-en-1-ol is sourced from PubChem (CID 135039340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).