3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol

C13H18O — CID 131240979

IUPAC3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol
SMILESC/C=C/C(C)c1c(C)cc(C)cc1O
InChIInChI=1S/C13H18O/c1-5-6-10(3)13-11(4)7-9(2)8-12(13)14/h5-8,10,14H,1-4H3/b6-5+
InChIKeyYMDFELOXZGQQAP-AATRIKPKSA-N
MW190.29 g/mol
LogP3.69
Rot. Bonds2

About 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol

3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol (PubChem CID 131240979) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol
PubChem CID131240979
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol
SMILESC/C=C/C(C)c1c(C)cc(C)cc1O
InChIInChI=1S/C13H18O/c1-5-6-10(3)13-11(4)7-9(2)8-12(13)14/h5-8,10,14H,1-4H3/b6-5+
InChIKeyYMDFELOXZGQQAP-AATRIKPKSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.69
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 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol?
The IUPAC name of 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol (CID 131240979) is 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol?
The canonical SMILES for 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol is C/C=C/C(C)c1c(C)cc(C)cc1O.
What is the InChIKey of 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol?
The InChIKey is YMDFELOXZGQQAP-AATRIKPKSA-N. The full InChI is InChI=1S/C13H18O/c1-5-6-10(3)13-11(4)7-9(2)8-12(13)14/h5-8,10,14H,1-4H3/b6-5+.
What are the key properties of 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol?
3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol has a molecular weight of 190.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol is sourced from PubChem (CID 131240979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).