ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol

C17H28O2 — CID 143867312

IUPACethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
SMILESCC.COc1ccc(C)cc1/C=C/CCCC(C)O
InChIInChI=1S/C15H22O2.C2H6/c1-12-9-10-15(17-3)14(11-12)8-6-4-5-7-13(2)16;1-2/h6,8-11,13,16H,4-5,7H2,1-3H3;1-2H3/b8-6+;
InChIKeyCKAAMLXZKJDEHQ-WVLIHFOGSA-N
MW264.41 g/mol
LogP4.59
Rot. Bonds6

About ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol

ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol (PubChem CID 143867312) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol.

Molecular Properties

Compound Nameethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
PubChem CID143867312
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
SMILESCC.COc1ccc(C)cc1/C=C/CCCC(C)O
InChIInChI=1S/C15H22O2.C2H6/c1-12-9-10-15(17-3)14(11-12)8-6-4-5-7-13(2)16;1-2/h6,8-11,13,16H,4-5,7H2,1-3H3;1-2H3/b8-6+;
InChIKeyCKAAMLXZKJDEHQ-WVLIHFOGSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143822214
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143806752
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365
4-(2-methoxy-4-methylphenyl)but-3-ene-1-thiol
CID 170478230
(2-methoxy-4-methylphenyl) 5-hydroxy-2-propan-2-ylhexanoate
CID 19893092
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol?
The IUPAC name of ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol (CID 143867312) is ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol.
What is the SMILES notation for ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol?
The canonical SMILES for ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol is CC.COc1ccc(C)cc1/C=C/CCCC(C)O.
What is the InChIKey of ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol?
The InChIKey is CKAAMLXZKJDEHQ-WVLIHFOGSA-N. The full InChI is InChI=1S/C15H22O2.C2H6/c1-12-9-10-15(17-3)14(11-12)8-6-4-5-7-13(2)16;1-2/h6,8-11,13,16H,4-5,7H2,1-3H3;1-2H3/b8-6+;.
What are the key properties of ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol?
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol has a molecular weight of 264.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol is sourced from PubChem (CID 143867312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).