4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol

C15H22O2 — CID 15519737

IUPAC4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
SMILESCC1(C)CCC[C@]1(C)c1cc(CO)ccc1O
InChIInChI=1S/C15H22O2/c1-14(2)7-4-8-15(14,3)12-9-11(10-16)5-6-13(12)17/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyRWMTZMQSBMDBRO-OAHLLOKOSA-N
MW234.34 g/mol
LogP3.35
Rot. Bonds2

About 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol

4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol (PubChem CID 15519737) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
PubChem CID15519737
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
SMILESCC1(C)CCC[C@]1(C)c1cc(CO)ccc1O
InChIInChI=1S/C15H22O2/c1-14(2)7-4-8-15(14,3)12-9-11(10-16)5-6-13(12)17/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t15-/m1/s1
InChIKeyRWMTZMQSBMDBRO-OAHLLOKOSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol?
The IUPAC name of 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol (CID 15519737) is 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol.
What is the SMILES notation for 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol?
The canonical SMILES for 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol is CC1(C)CCC[C@]1(C)c1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol?
The InChIKey is RWMTZMQSBMDBRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2)7-4-8-15(14,3)12-9-11(10-16)5-6-13(12)17/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol?
4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol is sourced from PubChem (CID 15519737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).