(2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol

C16H22O — CID 135069755

IUPAC(2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol
SMILESC=CC/C(=C\C(O)c1ccccc1)CC(C)C
InChIInChI=1S/C16H22O/c1-4-8-14(11-13(2)3)12-16(17)15-9-6-5-7-10-15/h4-7,9-10,12-13,16-17H,1,8,11H2,2-3H3/b14-12+
InChIKeyREZRVLVOUDEEPA-WYMLVPIESA-N
MW230.35 g/mol
LogP4.27
Rot. Bonds6

About (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol

(2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol (PubChem CID 135069755) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol
PubChem CID135069755
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol
SMILESC=CC/C(=C\C(O)c1ccccc1)CC(C)C
InChIInChI=1S/C16H22O/c1-4-8-14(11-13(2)3)12-16(17)15-9-6-5-7-10-15/h4-7,9-10,12-13,16-17H,1,8,11H2,2-3H3/b14-12+
InChIKeyREZRVLVOUDEEPA-WYMLVPIESA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.27
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 (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol?
The IUPAC name of (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol (CID 135069755) is (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol.
What is the SMILES notation for (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol?
The canonical SMILES for (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol is C=CC/C(=C\C(O)c1ccccc1)CC(C)C.
What is the InChIKey of (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol?
The InChIKey is REZRVLVOUDEEPA-WYMLVPIESA-N. The full InChI is InChI=1S/C16H22O/c1-4-8-14(11-13(2)3)12-16(17)15-9-6-5-7-10-15/h4-7,9-10,12-13,16-17H,1,8,11H2,2-3H3/b14-12+.
What are the key properties of (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol?
(2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol has a molecular weight of 230.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(2-methylpropyl)-1-phenylhexa-2,5-dien-1-ol is sourced from PubChem (CID 135069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).