2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene

C19H22O — CID 144702282

IUPAC2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene
SMILESC=CC(C)C/C(=C\C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H22O/c1-5-14(3)11-15(6-2)16-7-8-18-13-19(20-4)10-9-17(18)12-16/h5-10,12-14H,1,11H2,2-4H3/b15-6+
InChIKeyPQLBZOIPYQUKLZ-GIDUJCDVSA-N
MW266.38 g/mol
LogP5.46
Rot. Bonds5

About 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene

2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene (PubChem CID 144702282) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene
PubChem CID144702282
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene
SMILESC=CC(C)C/C(=C\C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H22O/c1-5-14(3)11-15(6-2)16-7-8-18-13-19(20-4)10-9-17(18)12-16/h5-10,12-14H,1,11H2,2-4H3/b15-6+
InChIKeyPQLBZOIPYQUKLZ-GIDUJCDVSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
CID 139863491
N-[2-[2-[2-[(Z)-5-(5-acetyl-2-methoxy-4-methylphenoxy)-4-(methyldiazenyl)pent-3-enoxy]ethoxy]ethoxy]ethyl]butanamide;(Z)-hex-3-ene-2,5-dione;2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene
CID 144702281
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 71415166
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
ethyl-fluoro-[1-(6-methoxynaphthalen-2-yl)prop-1-enoxy]borane
CID 123357196
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
CID 21354869
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene?
The IUPAC name of 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene (CID 144702282) is 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene?
The canonical SMILES for 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene is C=CC(C)C/C(=C\C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene?
The InChIKey is PQLBZOIPYQUKLZ-GIDUJCDVSA-N. The full InChI is InChI=1S/C19H22O/c1-5-14(3)11-15(6-2)16-7-8-18-13-19(20-4)10-9-17(18)12-16/h5-10,12-14H,1,11H2,2-4H3/b15-6+.
What are the key properties of 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene?
2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene has a molecular weight of 266.38 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2E)-5-methylhepta-2,6-dien-3-yl]naphthalene is sourced from PubChem (CID 144702282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).