2,5-bis(2-methylheptan-2-yl)phenol

C22H38O — CID 87703895

IUPAC2,5-bis(2-methylheptan-2-yl)phenol
SMILESCCCCCC(C)(C)c1ccc(C(C)(C)CCCCC)c(O)c1
InChIInChI=1S/C22H38O/c1-7-9-11-15-21(3,4)18-13-14-19(20(23)17-18)22(5,6)16-12-10-8-2/h13-14,17,23H,7-12,15-16H2,1-6H3
InChIKeySXASSWDJVSCEDP-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.11
Rot. Bonds10

About 2,5-bis(2-methylheptan-2-yl)phenol

2,5-bis(2-methylheptan-2-yl)phenol (PubChem CID 87703895) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 2,5-bis(2-methylheptan-2-yl)phenol.

Molecular Properties

Compound Name2,5-bis(2-methylheptan-2-yl)phenol
PubChem CID87703895
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name2,5-bis(2-methylheptan-2-yl)phenol
SMILESCCCCCC(C)(C)c1ccc(C(C)(C)CCCCC)c(O)c1
InChIInChI=1S/C22H38O/c1-7-9-11-15-21(3,4)18-13-14-19(20(23)17-18)22(5,6)16-12-10-8-2/h13-14,17,23H,7-12,15-16H2,1-6H3
InChIKeySXASSWDJVSCEDP-UHFFFAOYSA-N
XLogP7.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
bis[2,4-bis(2-methylheptan-2-yl)phenyl] carbonate
CID 141011315
2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
CID 54404925
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
5-(cyclohexylmethyl)-2-(2-methylheptan-2-yl)phenol
CID 54513004
2-[(3E)-hexa-1,3,5-trien-3-yl]-5-(2-methyloctan-2-yl)phenol
CID 143249985
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
3-[5-hydroxy-2-(2-methyloctadecan-2-yl)phenyl]sulfanyl-4-(2-methyloctadecan-2-yl)phenol
CID 57144494

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylheptan-2-yl)phenol?
The IUPAC name of 2,5-bis(2-methylheptan-2-yl)phenol (CID 87703895) is 2,5-bis(2-methylheptan-2-yl)phenol.
What is the SMILES notation for 2,5-bis(2-methylheptan-2-yl)phenol?
The canonical SMILES for 2,5-bis(2-methylheptan-2-yl)phenol is CCCCCC(C)(C)c1ccc(C(C)(C)CCCCC)c(O)c1.
What is the InChIKey of 2,5-bis(2-methylheptan-2-yl)phenol?
The InChIKey is SXASSWDJVSCEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-7-9-11-15-21(3,4)18-13-14-19(20(23)17-18)22(5,6)16-12-10-8-2/h13-14,17,23H,7-12,15-16H2,1-6H3.
What are the key properties of 2,5-bis(2-methylheptan-2-yl)phenol?
2,5-bis(2-methylheptan-2-yl)phenol has a molecular weight of 318.55 g/mol, XLogP of 7.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylheptan-2-yl)phenol is sourced from PubChem (CID 87703895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).