(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol

C14H18O — CID 11009003

IUPAC(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=CC(C)(C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H18O/c1-4-14(2,3)13(15)11-10-12-8-6-5-7-9-12/h4-11,13,15H,1H2,2-3H3/b11-10+/t13-/m1/s1
InChIKeyKPGHWQJYIAGJEQ-OCHBPSSRSA-N
MW202.30 g/mol
LogP3.27
Rot. Bonds4

About (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol

(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol (PubChem CID 11009003) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol
PubChem CID11009003
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=CC(C)(C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C14H18O/c1-4-14(2,3)13(15)11-10-12-8-6-5-7-9-12/h4-11,13,15H,1H2,2-3H3/b11-10+/t13-/m1/s1
InChIKeyKPGHWQJYIAGJEQ-OCHBPSSRSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.27
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 (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol (CID 11009003) is (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol is C=CC(C)(C)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol?
The InChIKey is KPGHWQJYIAGJEQ-OCHBPSSRSA-N. The full InChI is InChI=1S/C14H18O/c1-4-14(2,3)13(15)11-10-12-8-6-5-7-9-12/h4-11,13,15H,1H2,2-3H3/b11-10+/t13-/m1/s1.
What are the key properties of (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol?
(1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol has a molecular weight of 202.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R)-4,4-dimethyl-1-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 11009003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).