(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol

C15H22O2 — CID 143867243

IUPAC(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
SMILESCOc1ccc(C)cc1/C=C/CC[C@H](C)CO
InChIInChI=1S/C15H22O2/c1-12-8-9-15(17-3)14(10-12)7-5-4-6-13(2)11-16/h5,7-10,13,16H,4,6,11H2,1-3H3/b7-5+/t13-/m0/s1
InChIKeyNNEWGNRIEVGVEP-IYNGYCSASA-N
MW234.34 g/mol
LogP3.43
Rot. Bonds6

About (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol

(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol (PubChem CID 143867243) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
PubChem CID143867243
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
SMILESCOc1ccc(C)cc1/C=C/CC[C@H](C)CO
InChIInChI=1S/C15H22O2/c1-12-8-9-15(17-3)14(10-12)7-5-4-6-13(2)11-16/h5,7-10,13,16H,4,6,11H2,1-3H3/b7-5+/t13-/m0/s1
InChIKeyNNEWGNRIEVGVEP-IYNGYCSASA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
CID 143867312
ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
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
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
CID 143822201
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
(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 143867345
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355

Frequently Asked Questions

What is the IUPAC name of (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol?
The IUPAC name of (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol (CID 143867243) is (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol.
What is the SMILES notation for (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol?
The canonical SMILES for (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol is COc1ccc(C)cc1/C=C/CC[C@H](C)CO.
What is the InChIKey of (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol?
The InChIKey is NNEWGNRIEVGVEP-IYNGYCSASA-N. The full InChI is InChI=1S/C15H22O2/c1-12-8-9-15(17-3)14(10-12)7-5-4-6-13(2)11-16/h5,7-10,13,16H,4,6,11H2,1-3H3/b7-5+/t13-/m0/s1.
What are the key properties of (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol?
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol is sourced from PubChem (CID 143867243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).