2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol

C19H22O — CID 134982909

IUPAC2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol
SMILESCCCC=C=C(CC)C(O)c1cccc2ccccc12
InChIInChI=1S/C19H22O/c1-3-5-6-10-15(4-2)19(20)18-14-9-12-16-11-7-8-13-17(16)18/h6-9,11-14,19-20H,3-5H2,1-2H3
InChIKeyZDPPNWLHNVYYNW-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.16
Rot. Bonds5

About 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol

2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol (PubChem CID 134982909) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol
PubChem CID134982909
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol
SMILESCCCC=C=C(CC)C(O)c1cccc2ccccc12
InChIInChI=1S/C19H22O/c1-3-5-6-10-15(4-2)19(20)18-14-9-12-16-11-7-8-13-17(16)18/h6-9,11-14,19-20H,3-5H2,1-2H3
InChIKeyZDPPNWLHNVYYNW-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
butane;1-propan-2-ylnaphthalene
CID 157253186
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
2-[hydroxy(naphthalen-1-yl)methyl]pentanenitrile
CID 79412199
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
CID 14387515
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol?
The IUPAC name of 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol (CID 134982909) is 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol.
What is the SMILES notation for 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol?
The canonical SMILES for 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol is CCCC=C=C(CC)C(O)c1cccc2ccccc12.
What is the InChIKey of 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol?
The InChIKey is ZDPPNWLHNVYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-3-5-6-10-15(4-2)19(20)18-14-9-12-16-11-7-8-13-17(16)18/h6-9,11-14,19-20H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol?
2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol has a molecular weight of 266.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-naphthalen-1-ylhepta-2,3-dien-1-ol is sourced from PubChem (CID 134982909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).