3,7-dimethyl-4-phenylocta-1,6-dien-3-ol

C16H22O — CID 118649482

IUPAC3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)C(CC=C(C)C)c1ccccc1
InChIInChI=1S/C16H22O/c1-5-16(4,17)15(12-11-13(2)3)14-9-7-6-8-10-14/h5-11,15,17H,1,12H2,2-4H3
InChIKeyQQRIVQHXYDEACY-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.06
Rot. Bonds5

About 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol

3,7-dimethyl-4-phenylocta-1,6-dien-3-ol (PubChem CID 118649482) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
PubChem CID118649482
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)C(CC=C(C)C)c1ccccc1
InChIInChI=1S/C16H22O/c1-5-16(4,17)15(12-11-13(2)3)14-9-7-6-8-10-14/h5-11,15,17H,1,12H2,2-4H3
InChIKeyQQRIVQHXYDEACY-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-hydroperoxy-6-methyl-2-phenylhept-5-en-3-yl)benzene
CID 11312501
3,3-dimethyl-2-phenylpent-4-en-1-ol
CID 165392453
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
(4-ethenyl-4-methyl-5-phenylheptan-3-yl)benzene
CID 139239654
(2R)-5-methyl-2-phenylhex-4-enoic acid
CID 71722760
(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene
CID 71416480
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
N-(4-methyl-1-phenylpent-3-enyl)benzenecarbothioamide
CID 10990098
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol
CID 102331524
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol?
The IUPAC name of 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol (CID 118649482) is 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol.
What is the SMILES notation for 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol?
The canonical SMILES for 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol is C=CC(C)(O)C(CC=C(C)C)c1ccccc1.
What is the InChIKey of 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol?
The InChIKey is QQRIVQHXYDEACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-16(4,17)15(12-11-13(2)3)14-9-7-6-8-10-14/h5-11,15,17H,1,12H2,2-4H3.
What are the key properties of 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol?
3,7-dimethyl-4-phenylocta-1,6-dien-3-ol has a molecular weight of 230.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-phenylocta-1,6-dien-3-ol is sourced from PubChem (CID 118649482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).