5-(12-phenyldodecyl)benzene-1,3-diol

C24H34O2 — CID 44575635

IUPAC5-(12-phenyldodecyl)benzene-1,3-diol
SMILESOc1cc(O)cc(CCCCCCCCCCCCc2ccccc2)c1
InChIInChI=1S/C24H34O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h9,12-13,15-16,18-20,25-26H,1-8,10-11,14,17H2
InChIKeyLBWBDHYIXVJYGM-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.78
Rot. Bonds13

About 5-(12-phenyldodecyl)benzene-1,3-diol

5-(12-phenyldodecyl)benzene-1,3-diol (PubChem CID 44575635) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 5-(12-phenyldodecyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(12-phenyldodecyl)benzene-1,3-diol
PubChem CID44575635
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name5-(12-phenyldodecyl)benzene-1,3-diol
SMILESOc1cc(O)cc(CCCCCCCCCCCCc2ccccc2)c1
InChIInChI=1S/C24H34O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h9,12-13,15-16,18-20,25-26H,1-8,10-11,14,17H2
InChIKeyLBWBDHYIXVJYGM-UHFFFAOYSA-N
XLogP6.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
4-phenylbutylbenzene
CID 141301927
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
dodecylbenzene;phenol
CID 159734519
5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol
CID 139309701
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
2-(12-phenyldodecyl)phenol
CID 70505621

Frequently Asked Questions

What is the IUPAC name of 5-(12-phenyldodecyl)benzene-1,3-diol?
The IUPAC name of 5-(12-phenyldodecyl)benzene-1,3-diol (CID 44575635) is 5-(12-phenyldodecyl)benzene-1,3-diol.
What is the SMILES notation for 5-(12-phenyldodecyl)benzene-1,3-diol?
The canonical SMILES for 5-(12-phenyldodecyl)benzene-1,3-diol is Oc1cc(O)cc(CCCCCCCCCCCCc2ccccc2)c1.
What is the InChIKey of 5-(12-phenyldodecyl)benzene-1,3-diol?
The InChIKey is LBWBDHYIXVJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h9,12-13,15-16,18-20,25-26H,1-8,10-11,14,17H2.
What are the key properties of 5-(12-phenyldodecyl)benzene-1,3-diol?
5-(12-phenyldodecyl)benzene-1,3-diol has a molecular weight of 354.53 g/mol, XLogP of 6.78, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(12-phenyldodecyl)benzene-1,3-diol is sourced from PubChem (CID 44575635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).