(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol

C15H22O — CID 162868571

IUPAC(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
SMILESCc1ccc([C@H](C)C/C=C/C(C)(C)O)cc1
InChIInChI=1S/C15H22O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7-11,13,16H,6H2,1-4H3/b11-5+/t13-/m1/s1
InChIKeyFCWODWIUPFWVDN-HQIZRNBFSA-N
MW218.34 g/mol
LogP3.82
Rot. Bonds4

About (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol

(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol (PubChem CID 162868571) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol.

Molecular Properties

Compound Name(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
PubChem CID162868571
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
SMILESCc1ccc([C@H](C)C/C=C/C(C)(C)O)cc1
InChIInChI=1S/C15H22O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7-11,13,16H,6H2,1-4H3/b11-5+/t13-/m1/s1
InChIKeyFCWODWIUPFWVDN-HQIZRNBFSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol?
The IUPAC name of (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol (CID 162868571) is (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol.
What is the SMILES notation for (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol?
The canonical SMILES for (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol is Cc1ccc([C@H](C)C/C=C/C(C)(C)O)cc1.
What is the InChIKey of (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol?
The InChIKey is FCWODWIUPFWVDN-HQIZRNBFSA-N. The full InChI is InChI=1S/C15H22O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7-11,13,16H,6H2,1-4H3/b11-5+/t13-/m1/s1.
What are the key properties of (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol?
(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol is sourced from PubChem (CID 162868571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).