(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol

C15H22O — CID 134945314

IUPAC(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol
SMILESC/C(=C\c1ccccc1)C(C)(O)CC(C)C
InChIInChI=1S/C15H22O/c1-12(2)11-15(4,16)13(3)10-14-8-6-5-7-9-14/h5-10,12,16H,11H2,1-4H3/b13-10+
InChIKeyYYCSKGSHBJMZMN-JLHYYAGUSA-N
MW218.34 g/mol
LogP3.89
Rot. Bonds4

About (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol

(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol (PubChem CID 134945314) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol.

Molecular Properties

Compound Name(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol
PubChem CID134945314
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol
SMILESC/C(=C\c1ccccc1)C(C)(O)CC(C)C
InChIInChI=1S/C15H22O/c1-12(2)11-15(4,16)13(3)10-14-8-6-5-7-9-14/h5-10,12,16H,11H2,1-4H3/b13-10+
InChIKeyYYCSKGSHBJMZMN-JLHYYAGUSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2E)-2-benzylidene-3-methylbutane-1,3-diol
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(Z)-5-(dimethylamino)-3-(4-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339308
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Frequently Asked Questions

What is the IUPAC name of (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol?
The IUPAC name of (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol (CID 134945314) is (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol.
What is the SMILES notation for (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol?
The canonical SMILES for (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol is C/C(=C\c1ccccc1)C(C)(O)CC(C)C.
What is the InChIKey of (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol?
The InChIKey is YYCSKGSHBJMZMN-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H22O/c1-12(2)11-15(4,16)13(3)10-14-8-6-5-7-9-14/h5-10,12,16H,11H2,1-4H3/b13-10+.
What are the key properties of (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol?
(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol has a molecular weight of 218.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol is sourced from PubChem (CID 134945314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).