(E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol

C13H18O — CID 13110967

IUPAC(E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(C)(C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-10,12,14H,1-3H3/b10-9+/t12-/m1/s1
InChIKeySSLOCCVNUSYUIX-BZYZDCJZSA-N
MW190.29 g/mol
LogP3.11
Rot. Bonds2

About (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol

(E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 13110967) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID13110967
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCC(C)(C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-10,12,14H,1-3H3/b10-9+/t12-/m1/s1
InChIKeySSLOCCVNUSYUIX-BZYZDCJZSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cinnamyl Alcohol
CID 5315892
Fenipentol
CID 3338
4-Phenyl-2-butanol
CID 61302
2-Pentylcinnamic alcohol
CID 5368491
3-Phenylprop-2-En-1-Ol
CID 308
2-Pentyl-3-phenylprop-2-en-1-ol
CID 6076971
4-Phenylbut-3-en-2-ol
CID 15172
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
alpha-Methylcinnamic alcohol
CID 6393846
1-Heptanol, 2-(phenylmethylene)-
CID 7584
Dimethyl phenylbutanol
CID 99870

Frequently Asked Questions

What is the IUPAC name of (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol (CID 13110967) is (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol is CC(C)(C)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is SSLOCCVNUSYUIX-BZYZDCJZSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-10,12,14H,1-3H3/b10-9+/t12-/m1/s1.
What are the key properties of (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol?
(E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-4,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 13110967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).