trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol

C16H18O2 — CID 175100911

IUPACtrans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol
SMILESCC1(c2ccc3ccccc3c2)[C@@H](O)CC[C@@H]1O
InChIInChI=1S/C16H18O2/c1-16(14(17)8-9-15(16)18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15,17-18H,8-9H2,1H3/t14-,15-/m0/s1
InChIKeyJOWZIPIUJRCZGE-GJZGRUSLSA-N
MW242.32 g/mol
LogP2.61
Rot. Bonds1

About trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol

trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol (PubChem CID 175100911) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol.

Molecular Properties

Compound Nametrans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol
PubChem CID175100911
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nametrans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol
SMILESCC1(c2ccc3ccccc3c2)[C@@H](O)CC[C@@H]1O
InChIInChI=1S/C16H18O2/c1-16(14(17)8-9-15(16)18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15,17-18H,8-9H2,1H3/t14-,15-/m0/s1
InChIKeyJOWZIPIUJRCZGE-GJZGRUSLSA-N
XLogP2.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol?
The IUPAC name of trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol (CID 175100911) is trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol.
What is the SMILES notation for trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol?
The canonical SMILES for trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol is CC1(c2ccc3ccccc3c2)[C@@H](O)CC[C@@H]1O.
What is the InChIKey of trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol?
The InChIKey is JOWZIPIUJRCZGE-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H18O2/c1-16(14(17)8-9-15(16)18)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14-15,17-18H,8-9H2,1H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol?
trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol has a molecular weight of 242.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2-methyl-2-naphthalen-2-ylcyclopentane-1,3-diol is sourced from PubChem (CID 175100911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).