2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol

C21H34O2 — CID 15332912

IUPAC2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol
SMILESCCCCCCCCc1cc2c(cc1O)C(C)(C)CC(C)(C)O2
InChIInChI=1S/C21H34O2/c1-6-7-8-9-10-11-12-16-13-19-17(14-18(16)22)20(2,3)15-21(4,5)23-19/h13-14,22H,6-12,15H2,1-5H3
InChIKeyUZVBAWBPIHEJKV-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.13
Rot. Bonds7

About 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol

2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol (PubChem CID 15332912) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol
PubChem CID15332912
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol
SMILESCCCCCCCCc1cc2c(cc1O)C(C)(C)CC(C)(C)O2
InChIInChI=1S/C21H34O2/c1-6-7-8-9-10-11-12-16-13-19-17(14-18(16)22)20(2,3)15-21(4,5)23-19/h13-14,22H,6-12,15H2,1-5H3
InChIKeyUZVBAWBPIHEJKV-UHFFFAOYSA-N
XLogP6.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyrimidin-2-yl]acetate
CID 22903919
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4-[1-(6-butyl-7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)butyl]benzene-1,3-diol
CID 163496390
4,5-didecylbenzene-1,2-diol
CID 15667809
4-chloro-6-heptylbenzene-1,3-diol
CID 23195029
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
ethyl 2-[5-[2-(7-hexylsulfanyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]furan-2-yl]acetate
CID 57230445
5-chloro-2-dodecylphenol
CID 102279992
2-tridecylbenzene-1,4-diol
CID 19033717
4-tricosylbenzene-1,3-diol
CID 101133990
2,3,4,5-tetradodecylphenol
CID 21465809
2,2,4,4,6-pentamethyl-3H-chromen-7-amine
CID 18983549

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol?
The IUPAC name of 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol (CID 15332912) is 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol is CCCCCCCCc1cc2c(cc1O)C(C)(C)CC(C)(C)O2.
What is the InChIKey of 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol?
The InChIKey is UZVBAWBPIHEJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-6-7-8-9-10-11-12-16-13-19-17(14-18(16)22)20(2,3)15-21(4,5)23-19/h13-14,22H,6-12,15H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol?
2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol has a molecular weight of 318.50 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol is sourced from PubChem (CID 15332912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).