2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol

C19H24O3 — CID 23391465

IUPAC2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
SMILESCCC(CC(C)c1ccc(O)cc1)c1ccc(O)c(CO)c1
InChIInChI=1S/C19H24O3/c1-3-14(16-6-9-19(22)17(11-16)12-20)10-13(2)15-4-7-18(21)8-5-15/h4-9,11,13-14,20-22H,3,10,12H2,1-2H3
InChIKeyRNRLCRGPVBYCKR-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.28
Rot. Bonds6

About 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol

2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol (PubChem CID 23391465) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
PubChem CID23391465
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
SMILESCCC(CC(C)c1ccc(O)cc1)c1ccc(O)c(CO)c1
InChIInChI=1S/C19H24O3/c1-3-14(16-6-9-19(22)17(11-16)12-20)10-13(2)15-4-7-18(21)8-5-15/h4-9,11,13-14,20-22H,3,10,12H2,1-2H3
InChIKeyRNRLCRGPVBYCKR-UHFFFAOYSA-N
XLogP4.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
CID 83920884
4-[4-(4-chlorophenyl)hexan-2-yl]phenol
CID 130398550
3-[4-hydroxy-3-(hydroxymethyl)phenyl]pentanoic acid
CID 83949673
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
2-(anthracen-9-ylmethyl)-4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 20615536
4-hept-1-yn-4-yl-2-(hydroxymethyl)phenol
CID 83920854
4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol
CID 59700313
6-(5-methylhexan-3-yl)naphthalen-2-ol
CID 123500206
4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
CID 165341747

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol (CID 23391465) is 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol is CCC(CC(C)c1ccc(O)cc1)c1ccc(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol?
The InChIKey is RNRLCRGPVBYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-14(16-6-9-19(22)17(11-16)12-20)10-13(2)15-4-7-18(21)8-5-15/h4-9,11,13-14,20-22H,3,10,12H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol?
2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol has a molecular weight of 300.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol is sourced from PubChem (CID 23391465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).