2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol

C24H42O4 — CID 166174537

IUPAC2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol
SMILESCOc1c(O)c(C)c(CC[C@@H](C)CCC[C@H](C)CCCC(C)C)c(O)c1OC
InChIInChI=1S/C24H42O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h16-18,25-26H,8-15H2,1-7H3/t17-,18+/m1/s1
InChIKeyTUKURTQHGVSGOW-MSOLQXFVSA-N
MW394.60 g/mol
LogP6.62
Rot. Bonds13

About 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol

2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol (PubChem CID 166174537) has the molecular formula C24H42O4 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol
PubChem CID166174537
Molecular FormulaC24H42O4
Molecular Weight394.60 g/mol
Exact Mass394.31
IUPAC Name2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol
SMILESCOc1c(O)c(C)c(CC[C@@H](C)CCC[C@H](C)CCCC(C)C)c(O)c1OC
InChIInChI=1S/C24H42O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h16-18,25-26H,8-15H2,1-7H3/t17-,18+/m1/s1
InChIKeyTUKURTQHGVSGOW-MSOLQXFVSA-N
XLogP6.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-methyl-6-[(3S,7R,11R)-3,7,11,15-tetramethylhexadecyl]benzene-1,4-diol
CID 162639750
2,3-dimethoxy-5-methyl-6-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
CID 42626984
2-methyl-3-(3,7,11,15,19,23,27,31,35-nonamethylhexatriacontyl)naphthalene-1,4-diol
CID 657021
3-ethyl-2,5,6-trimethyl-4-[(6R,10R)-6,10,14-trimethylpentadecan-2-yl]oxyphenol
CID 162459645
1-(3-chloro-3,7,11,15-tetramethylhexadecyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 58972231
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(7R,11R)-3,7,11,15-tetramethylhexadecyl]benzene-1,4-diol;2,3,5-trimethyl-6-[(7R,11R)-3,7,11,15-tetramethylhexadecyl]cyclohexa-2,5-diene-1,4-dione
CID 157055497
4-[4-(3-carboxypropanoyloxy)-2,3,6-trimethyl-5-[(3S,7R,11R)-3,7,11,15-tetramethylhexadecyl]phenoxy]-4-oxobutanoic acid
CID 139375028
1,4-dimethoxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene
CID 118053661
2,3,5-trimethyl-6-[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]terephthalaldehyde
CID 123504445
2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol
CID 5189703
10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)decanoic acid;sulfuric acid
CID 88674075
2,6-dimethoxy-3-(3-methylbutyl)-4-(4-methylpentyl)phenol
CID 18175867

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol (CID 166174537) is 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol is COc1c(O)c(C)c(CC[C@@H](C)CCC[C@H](C)CCCC(C)C)c(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol?
The InChIKey is TUKURTQHGVSGOW-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H42O4/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5)21(25)23(27-6)24(28-7)22(20)26/h16-18,25-26H,8-15H2,1-7H3/t17-,18+/m1/s1.
What are the key properties of 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol?
2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol has a molecular weight of 394.60 g/mol, XLogP of 6.62, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-6-[(3S,7R)-3,7,11-trimethyldodecyl]benzene-1,4-diol is sourced from PubChem (CID 166174537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).