1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol

C16H20O — CID 141344343

IUPAC1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=CC1C(C)c1ccccc1
InChIInChI=1S/C16H20O/c1-3-16(17)12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-13,15,17H,3H2,1-2H3
InChIKeySDERORXDSUWRPM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.67
Rot. Bonds3

About 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol

1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 141344343) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol
PubChem CID141344343
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=CC1C(C)c1ccccc1
InChIInChI=1S/C16H20O/c1-3-16(17)12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-13,15,17H,3H2,1-2H3
InChIKeySDERORXDSUWRPM-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-6-(2-methoxyphenoxy)cyclohexa-2,4-dien-1-ol
CID 175091803
1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 70477137
2-(1-phenylethyl)-2H-pyran
CID 155618622
ethanol;3-(1-phenylethyl)azetidine
CID 19888360
[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
CID 126633580
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891
1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
CID 11985593
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
CID 23321698
CID 23321698
1-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-ethoxy-2-phenylethanone
CID 150274998
cumene;hydrogen peroxide
CID 21225480

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol (CID 141344343) is 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol is CCC1(O)C=CC=CC1C(C)c1ccccc1.
What is the InChIKey of 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is SDERORXDSUWRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-16(17)12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-13,15,17H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol?
1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 228.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141344343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).