[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol

C20H26O2 — CID 14096565

IUPAC[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)c2ccc(CO)cc2)c(C(C)C)c1
InChIInChI=1S/C20H26O2/c1-13(2)17-9-10-18(19(11-17)14(3)4)20(22)16-7-5-15(12-21)6-8-16/h5-11,13-14,20-22H,12H2,1-4H3
InChIKeyNPTFFXJHXGIAMU-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.51
Rot. Bonds5

About [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol

[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol (PubChem CID 14096565) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
PubChem CID14096565
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)c2ccc(CO)cc2)c(C(C)C)c1
InChIInChI=1S/C20H26O2/c1-13(2)17-9-10-18(19(11-17)14(3)4)20(22)16-7-5-15(12-21)6-8-16/h5-11,13-14,20-22H,12H2,1-4H3
InChIKeyNPTFFXJHXGIAMU-UHFFFAOYSA-N
XLogP4.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
5-(hydroxymethyl)-2-propan-2-ylphenol
CID 14002478
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
CID 125466999
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210128
(4-methyl-3-propan-2-ylphenyl)methanol
CID 20871908

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol (CID 14096565) is [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol is CC(C)c1ccc(C(O)c2ccc(CO)cc2)c(C(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol?
The InChIKey is NPTFFXJHXGIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-13(2)17-9-10-18(19(11-17)14(3)4)20(22)16-7-5-15(12-21)6-8-16/h5-11,13-14,20-22H,12H2,1-4H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol?
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol has a molecular weight of 298.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 14096565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).