5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol

C17H26O — CID 173354014

IUPAC5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol
SMILESC=C(C)C(CCC(C)CC)C(O)c1ccccc1
InChIInChI=1S/C17H26O/c1-5-14(4)11-12-16(13(2)3)17(18)15-9-7-6-8-10-15/h6-10,14,16-18H,2,5,11-12H2,1,3-4H3
InChIKeyXRPCHDHVLGPGMV-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.74
Rot. Bonds7

About 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol

5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol (PubChem CID 173354014) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol.

Molecular Properties

Compound Name5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol
PubChem CID173354014
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol
SMILESC=C(C)C(CCC(C)CC)C(O)c1ccccc1
InChIInChI=1S/C17H26O/c1-5-14(4)11-12-16(13(2)3)17(18)15-9-7-6-8-10-15/h6-10,14,16-18H,2,5,11-12H2,1,3-4H3
InChIKeyXRPCHDHVLGPGMV-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.74
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-ylhept-6-en-1-ol
CID 135039340
ethyl 2-[hydroxy(phenyl)methyl]-4-methylpent-4-enoate
CID 134956272
5-methylhept-1-en-2-ylbenzene
CID 90870775
(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol
CID 10446181
(1R,2S,4S)-1-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-2-methyl-1-phenylheptan-3-one
CID 177426345
(2S)-3-phenylpentan-2-ol
CID 45048673
ethene;2-methyl-1-phenyl-3-sulfanylbut-3-en-1-ol
CID 142008982
methane;[(2R)-2-methylbutyl]benzene;(1S,2R)-2-methyl-1-phenylbutan-1-ol
CID 167593098
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
1-phenyl-2-propylpentan-1-ol
CID 82987900
3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
CID 139254931

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol?
The IUPAC name of 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol (CID 173354014) is 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol.
What is the SMILES notation for 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol?
The canonical SMILES for 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol is C=C(C)C(CCC(C)CC)C(O)c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol?
The InChIKey is XRPCHDHVLGPGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-14(4)11-12-16(13(2)3)17(18)15-9-7-6-8-10-15/h6-10,14,16-18H,2,5,11-12H2,1,3-4H3.
What are the key properties of 5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol?
5-methyl-1-phenyl-2-prop-1-en-2-ylheptan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.74, 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-ylheptan-1-ol is sourced from PubChem (CID 173354014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).