(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol

C20H26O5 — CID 118539077

IUPAC(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol
SMILESCOc1ccc(OC)c2c(OC)c([C@@H](O)CC=C(C)C)cc(OC)c12
InChIInChI=1S/C20H26O5/c1-12(2)7-8-14(21)13-11-17(24-5)18-15(22-3)9-10-16(23-4)19(18)20(13)25-6/h7,9-11,14,21H,8H2,1-6H3/t14-/m0/s1
InChIKeyJATZDQLMBLHKFK-AWEZNQCLSA-N
MW346.42 g/mol
LogP4.26
Rot. Bonds7

About (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol

(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol (PubChem CID 118539077) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol
PubChem CID118539077
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol
SMILESCOc1ccc(OC)c2c(OC)c([C@@H](O)CC=C(C)C)cc(OC)c12
InChIInChI=1S/C20H26O5/c1-12(2)7-8-14(21)13-11-17(24-5)18-15(22-3)9-10-16(23-4)19(18)20(13)25-6/h7,9-11,14,21H,8H2,1-6H3/t14-/m0/s1
InChIKeyJATZDQLMBLHKFK-AWEZNQCLSA-N
XLogP4.26
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-ene-1-thiol
CID 42604877
[4-acetyloxy-3-(1-hydroxy-4-methylpent-3-enyl)-5,8-dimethoxynaphthalen-1-yl] acetate
CID 141292091
1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
CID 139659328
[(1R)-1-[5-(hydroxyamino)-1,4-dimethoxy-8-nitrosonaphthalen-2-yl]-4-methylpent-3-enyl] acetate
CID 118539095
1-(1,4,5,8-tetramethoxyanthracen-2-yl)butan-1-ol
CID 142627073
5-[2,2-dimethyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)but-3-enoxy]pentan-1-ol
CID 135398413
4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine
CID 141167060
[(1S)-1-[5-(hydroxyamino)-1,4-dimethoxy-8-nitrosonaphthalen-2-yl]-4-methylpent-3-enyl] propanoate
CID 118539093
2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene
CID 142629366
1,4,5,8-tetramethoxynaphthalene
CID 10220551
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247
2-(1-heptoxy-4-methylpentyl)-1,4,5,8-tetramethoxynaphthalene
CID 21468102

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol?
The IUPAC name of (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol (CID 118539077) is (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol.
What is the SMILES notation for (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol?
The canonical SMILES for (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol is COc1ccc(OC)c2c(OC)c([C@@H](O)CC=C(C)C)cc(OC)c12.
What is the InChIKey of (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol?
The InChIKey is JATZDQLMBLHKFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26O5/c1-12(2)7-8-14(21)13-11-17(24-5)18-15(22-3)9-10-16(23-4)19(18)20(13)25-6/h7,9-11,14,21H,8H2,1-6H3/t14-/m0/s1.
What are the key properties of (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol?
(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol has a molecular weight of 346.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol is sourced from PubChem (CID 118539077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).