[4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol

C19H30O2 — CID 58421247

IUPAC[4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol
SMILESC/C=C/c1cc(CO)c(C)cc1OCC(CC)CCCC
InChIInChI=1S/C19H30O2/c1-5-8-10-16(7-3)14-21-19-11-15(4)18(13-20)12-17(19)9-6-2/h6,9,11-12,16,20H,5,7-8,10,13-14H2,1-4H3/b9-6+
InChIKeyTXVPWBUOMAQGFQ-RMKNXTFCSA-N
MW290.45 g/mol
LogP5.12
Rot. Bonds9

About [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol

[4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol (PubChem CID 58421247) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol
PubChem CID58421247
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name[4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol
SMILESC/C=C/c1cc(CO)c(C)cc1OCC(CC)CCCC
InChIInChI=1S/C19H30O2/c1-5-8-10-16(7-3)14-21-19-11-15(4)18(13-20)12-17(19)9-6-2/h6,9,11-12,16,20H,5,7-8,10,13-14H2,1-4H3/b9-6+
InChIKeyTXVPWBUOMAQGFQ-RMKNXTFCSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol with MolForge

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Related Compounds

1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
2-[(E)-2-[5-(2-ethylhexoxy)-2-methoxy-4-[(E)-prop-1-enyl]phenyl]ethenyl]-7-methyl-9,9-dioctylfluorene
CID 89086695
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
[4-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 81238636
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
[4-(2-ethylhexoxy)-3-methylphenyl]boronic acid
CID 63549557
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
4-[(E)-2-[4-[(E)-2-[4-(4-bromo-N-(4-bromophenyl)anilino)phenyl]ethenyl]-2,5-bis(2-ethylhexoxy)phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline
CID 59629901
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol?
The IUPAC name of [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol (CID 58421247) is [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol?
The canonical SMILES for [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol is C/C=C/c1cc(CO)c(C)cc1OCC(CC)CCCC.
What is the InChIKey of [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol?
The InChIKey is TXVPWBUOMAQGFQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H30O2/c1-5-8-10-16(7-3)14-21-19-11-15(4)18(13-20)12-17(19)9-6-2/h6,9,11-12,16,20H,5,7-8,10,13-14H2,1-4H3/b9-6+.
What are the key properties of [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol?
[4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol has a molecular weight of 290.45 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)-2-methyl-5-[(E)-prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 58421247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).