(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol

C17H26O — CID 129384682

IUPAC(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@@H](O)c1ccc(CCCCCCC)cc1
InChIInChI=1S/C17H26O/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17(18)14(2)3/h10-13,17-18H,2,4-9H2,1,3H3/t17-/m1/s1
InChIKeyKVCGUOJVYOFEIJ-QGZVFWFLSA-N
MW246.39 g/mol
LogP4.81
Rot. Bonds8

About (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol

(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol (PubChem CID 129384682) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol
PubChem CID129384682
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)[C@@H](O)c1ccc(CCCCCCC)cc1
InChIInChI=1S/C17H26O/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17(18)14(2)3/h10-13,17-18H,2,4-9H2,1,3H3/t17-/m1/s1
InChIKeyKVCGUOJVYOFEIJ-QGZVFWFLSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.81
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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Related Compounds

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CID 139673626
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CID 139721413
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
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CID 59545302
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1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
2-amino-2-(4-octylphenyl)ethanol
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CID 135162597

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol (CID 129384682) is (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol is C=C(C)[C@@H](O)c1ccc(CCCCCCC)cc1.
What is the InChIKey of (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is KVCGUOJVYOFEIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26O/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17(18)14(2)3/h10-13,17-18H,2,4-9H2,1,3H3/t17-/m1/s1.
What are the key properties of (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol?
(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 129384682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).