(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol

C21H28O3 — CID 5469370

IUPAC(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol
SMILESCOc1c(C)c(C/C=C(\C)CCCCO)c(OC)c2ccccc12
InChIInChI=1S/C21H28O3/c1-15(9-7-8-14-22)12-13-17-16(2)20(23-3)18-10-5-6-11-19(18)21(17)24-4/h5-6,10-12,22H,7-9,13-14H2,1-4H3/b15-12+
InChIKeyURWWGLPWDXOMQN-NTCAYCPXSA-N
MW328.45 g/mol
LogP4.82
Rot. Bonds8

About (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol

(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol (PubChem CID 5469370) has the molecular formula C21H28O3 and a molecular weight of 328.45 g/mol. Its IUPAC name is (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol.

Molecular Properties

Compound Name(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol
PubChem CID5469370
Molecular FormulaC21H28O3
Molecular Weight328.45 g/mol
Exact Mass328.20
IUPAC Name(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol
SMILESCOc1c(C)c(C/C=C(\C)CCCCO)c(OC)c2ccccc12
InChIInChI=1S/C21H28O3/c1-15(9-7-8-14-22)12-13-17-16(2)20(23-3)18-10-5-6-11-19(18)21(17)24-4/h5-6,10-12,22H,7-9,13-14H2,1-4H3/b15-12+
InChIKeyURWWGLPWDXOMQN-NTCAYCPXSA-N
XLogP4.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene
CID 118053661
(E)-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-ene-2,3-diol
CID 70594960
3-bromo-8-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2,6-dimethyloct-6-en-2-ol
CID 57132080
4-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylbut-2-enal
CID 86141034
tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane
CID 124629299
magnesium;(2E,6E,10E,14E,18E,22E)-1-bromo-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene;1,4-dimethoxy-3-methyl-2H-naphthalen-2-ide;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-1,4-dimethoxy-3-methylnaphthalene;bromide
CID 161293164
[4-acetyloxy-3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22-hexaenyl]-2-methylnaphthalen-1-yl] acetate
CID 135190881
[4-acetyloxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalen-1-yl] acetate
CID 5379593
1-[4-(benzenesulfonyl)-3-methylbut-2-enyl]-2,3,4,5-tetramethoxy-6-methylbenzene
CID 53428027
5-(6-hydroxy-3-methylhex-2-enyl)-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-carbaldehyde
CID 123673359
[2-methyl-4-propanoyloxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalen-1-yl] propanoate
CID 134474900
1-[(E)-4-chloro-3-methylbut-2-enyl]-2,3,4,5-tetramethoxy-6-methylbenzene
CID 14852324

Frequently Asked Questions

What is the IUPAC name of (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol?
The IUPAC name of (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol (CID 5469370) is (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol.
What is the SMILES notation for (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol?
The canonical SMILES for (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol is COc1c(C)c(C/C=C(\C)CCCCO)c(OC)c2ccccc12.
What is the InChIKey of (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol?
The InChIKey is URWWGLPWDXOMQN-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H28O3/c1-15(9-7-8-14-22)12-13-17-16(2)20(23-3)18-10-5-6-11-19(18)21(17)24-4/h5-6,10-12,22H,7-9,13-14H2,1-4H3/b15-12+.
What are the key properties of (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol?
(E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol has a molecular weight of 328.45 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-5-methylhept-5-en-1-ol is sourced from PubChem (CID 5469370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).