2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol

C12H16O — CID 123281218

IUPAC2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol
SMILESC=C(C)C1=CC(=C)C(CCO)C=C1
InChIInChI=1S/C12H16O/c1-9(2)12-5-4-11(6-7-13)10(3)8-12/h4-5,8,11,13H,1,3,6-7H2,2H3
InChIKeyPMTHPEOTVPEUJI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds3

About 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol

2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 123281218) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID123281218
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol
SMILESC=C(C)C1=CC(=C)C(CCO)C=C1
InChIInChI=1S/C12H16O/c1-9(2)12-5-4-11(6-7-13)10(3)8-12/h4-5,8,11,13H,1,3,6-7H2,2H3
InChIKeyPMTHPEOTVPEUJI-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-inden-1-yl)ethanol
CID 23288751
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
(4-methylidenecyclobut-2-en-1-yl)methanamine
CID 163953951
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
CID 101087121
2-ethyl-3-[5-ethyl-4-(3-hydroxypropoxy)-3-methylcyclohepta-1,3,6-trien-1-yl]-N-methylbut-3-ene-1-sulfinamide
CID 155486026
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
[(1S)-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 167203745
(4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
CID 23636914
3-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-one
CID 123458953
5-ethyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 142452108

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol (CID 123281218) is 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol is C=C(C)C1=CC(=C)C(CCO)C=C1.
What is the InChIKey of 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is PMTHPEOTVPEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)12-5-4-11(6-7-13)10(3)8-12/h4-5,8,11,13H,1,3,6-7H2,2H3.
What are the key properties of 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol?
2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 176.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 123281218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).