2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol

C16H22O — CID 175173281

IUPAC2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol
SMILESCC(C)=CCCC(C)/C=C/c1ccccc1O
InChIInChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-12,14,17H,6,8H2,1-3H3/b12-11+
InChIKeyNRPOYNVZRBIVEP-VAWYXSNFSA-N
MW230.35 g/mol
LogP4.79
Rot. Bonds5

About 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol

2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol (PubChem CID 175173281) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol.

Molecular Properties

Compound Name2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol
PubChem CID175173281
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol
SMILESCC(C)=CCCC(C)/C=C/c1ccccc1O
InChIInChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-12,14,17H,6,8H2,1-3H3/b12-11+
InChIKeyNRPOYNVZRBIVEP-VAWYXSNFSA-N
XLogP4.79
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 ≤ 54.79
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-[(1E,3R)-3,7-dimethylocta-1,6-dienyl]-N-methylaniline
CID 11746843
5-[(1E)-3,7-dimethylocta-1,6-dienyl]-1H-pyridin-2-one
CID 166512658
1-[(1E)-3,7-dimethylocta-1,6-dienyl]-4-ethenoxybenzene
CID 170060920
1-bromo-3,7-dimethylocta-1,6-diene
CID 154265835
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
3-(2-hydroxyphenyl)prop-2-ene-1,1-diol
CID 57308836
2-[3-(2-amino-2-oxoethoxy)-4-[(1E)-3,7-dimethylocta-1,6-dienyl]phenoxy]acetamide
CID 146472717
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
(2Z)-4,8-dimethylnona-2,7-dienenitrile
CID 24972380
2,6-dimethylhept-5-enal
CID 158364508
2-[(Z)-3-hydroxy-5-phenylpent-1-enyl]phenol
CID 11097132
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol?
The IUPAC name of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol (CID 175173281) is 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol.
What is the SMILES notation for 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol?
The canonical SMILES for 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol is CC(C)=CCCC(C)/C=C/c1ccccc1O.
What is the InChIKey of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol?
The InChIKey is NRPOYNVZRBIVEP-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-12,14,17H,6,8H2,1-3H3/b12-11+.
What are the key properties of 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol?
2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol has a molecular weight of 230.35 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-3,7-dimethylocta-1,6-dienyl]phenol is sourced from PubChem (CID 175173281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).