(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol

C16H22O2 — CID 10955854

IUPAC(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
SMILESC/C(=C\C=C\CCCOCc1ccccc1)CO
InChIInChI=1S/C16H22O2/c1-15(13-17)9-5-2-3-8-12-18-14-16-10-6-4-7-11-16/h2,4-7,9-11,17H,3,8,12-14H2,1H3/b5-2+,15-9+
InChIKeyYBFITVPKQWIGIL-XNWLVXFCSA-N
MW246.35 g/mol
LogP3.48
Rot. Bonds8

About (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol

(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol (PubChem CID 10955854) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
PubChem CID10955854
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
SMILESC/C(=C\C=C\CCCOCc1ccccc1)CO
InChIInChI=1S/C16H22O2/c1-15(13-17)9-5-2-3-8-12-18-14-16-10-6-4-7-11-16/h2,4-7,9-11,17H,3,8,12-14H2,1H3/b5-2+,15-9+
InChIKeyYBFITVPKQWIGIL-XNWLVXFCSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
undec-4-enoxymethylbenzene
CID 158781580
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
CID 162559957
(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol
CID 11219680
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
5-nitropent-4-enoxymethylbenzene
CID 85369465
acetic acid;butoxymethylbenzene
CID 139463153

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol (CID 10955854) is (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol is C/C(=C\C=C\CCCOCc1ccccc1)CO.
What is the InChIKey of (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol?
The InChIKey is YBFITVPKQWIGIL-XNWLVXFCSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(13-17)9-5-2-3-8-12-18-14-16-10-6-4-7-11-16/h2,4-7,9-11,17H,3,8,12-14H2,1H3/b5-2+,15-9+.
What are the key properties of (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol?
(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol is sourced from PubChem (CID 10955854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).