(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol

C13H18O2 — CID 134527646

IUPAC(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-10-7-12(14)8-13(10)15-9-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12-,13+/m1/s1
InChIKeyRNHUUKIVIYTVIL-RTXFEEFZSA-N
MW206.29 g/mol
LogP2.36
Rot. Bonds3

About (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol

(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol (PubChem CID 134527646) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
PubChem CID134527646
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](O)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-10-7-12(14)8-13(10)15-9-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12-,13+/m1/s1
InChIKeyRNHUUKIVIYTVIL-RTXFEEFZSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
trimethyl-[[(1R,3S,4S)-3-methyl-4-phenylmethoxycyclopentyl]methyl]azanium
CID 101081564
(1S,2R,3R,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10025814
(1S,3R,4S)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 70901451
2-methyl-6-phenylmethoxyoxan-4-ol
CID 162749545
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol
CID 53242932
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol?
The IUPAC name of (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol (CID 134527646) is (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol.
What is the SMILES notation for (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol?
The canonical SMILES for (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol is C[C@@H]1C[C@@H](O)C[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol?
The InChIKey is RNHUUKIVIYTVIL-RTXFEEFZSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-7-12(14)8-13(10)15-9-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12-,13+/m1/s1.
What are the key properties of (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol?
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol is sourced from PubChem (CID 134527646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).