2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

C22H32O2 — CID 167089283

IUPAC2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
SMILESCCCCCc1cc(O)c2c(c1C)OC(C)(CCC=C(C)C)C=C2
InChIInChI=1S/C22H32O2/c1-6-7-8-11-18-15-20(23)19-12-14-22(5,13-9-10-16(2)3)24-21(19)17(18)4/h10,12,14-15,23H,6-9,11,13H2,1-5H3
InChIKeyJWOFAUHIZDXBFI-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.34
Rot. Bonds7

About 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol

2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol (PubChem CID 167089283) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol.

Molecular Properties

Compound Name2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
PubChem CID167089283
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
SMILESCCCCCc1cc(O)c2c(c1C)OC(C)(CCC=C(C)C)C=C2
InChIInChI=1S/C22H32O2/c1-6-7-8-11-18-15-20(23)19-12-14-22(5,13-9-10-16(2)3)24-21(19)17(18)4/h10,12,14-15,23H,6-9,11,13H2,1-5H3
InChIKeyJWOFAUHIZDXBFI-UHFFFAOYSA-N
XLogP6.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-8-carboxylic acid
CID 130433429
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-8-carboxylic acid;methane
CID 160826547
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
ethyl 7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-5-pentylchromene-6-carboxylate
CID 163016024
7-hex-5-ynyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 163298668
(2R)-2,7-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol
CID 134968550
5-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]pentanoic acid
CID 164591600
8-chloro-5-hydroxy-2,7-dimethyl-2-(4-methylpent-3-enyl)chromene-6-carbaldehyde
CID 10245493
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid;2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol;2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol;2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 161370734
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-3,4-dihydrochromene-8-carboxylic acid
CID 138555107
methyl 2-[(2R)-6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]acetate
CID 162940293
2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine
CID 135271324

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol?
The IUPAC name of 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol (CID 167089283) is 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol.
What is the SMILES notation for 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol?
The canonical SMILES for 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol is CCCCCc1cc(O)c2c(c1C)OC(C)(CCC=C(C)C)C=C2.
What is the InChIKey of 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol?
The InChIKey is JWOFAUHIZDXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-6-7-8-11-18-15-20(23)19-12-14-22(5,13-9-10-16(2)3)24-21(19)17(18)4/h10,12,14-15,23H,6-9,11,13H2,1-5H3.
What are the key properties of 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol?
2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol has a molecular weight of 328.50 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol is sourced from PubChem (CID 167089283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).