[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

C25H32O2 — CID 169128718

IUPAC[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCc1ccc(OC[C@@H]2CCc3cc([C@H]4CC[C@](C)(CO)C4)ccc3C2)cc1
InChIInChI=1S/C25H32O2/c1-18-3-9-24(10-4-18)27-16-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-25(2,15-23)17-26/h3-4,7-10,14,19,23,26H,5-6,11-13,15-17H2,1-2H3/t19-,23+,25+/m1/s1
InChIKeyJRWQZUWIDQZDGE-VPHKFGTKSA-N
MW364.53 g/mol
LogP5.45
Rot. Bonds5

About [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 169128718) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
PubChem CID169128718
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
SMILESCc1ccc(OC[C@@H]2CCc3cc([C@H]4CC[C@](C)(CO)C4)ccc3C2)cc1
InChIInChI=1S/C25H32O2/c1-18-3-9-24(10-4-18)27-16-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-25(2,15-23)17-26/h3-4,7-10,14,19,23,26H,5-6,11-13,15-17H2,1-2H3/t19-,23+,25+/m1/s1
InChIKeyJRWQZUWIDQZDGE-VPHKFGTKSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The IUPAC name of [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 169128718) is [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The canonical SMILES for [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is Cc1ccc(OC[C@@H]2CCc3cc([C@H]4CC[C@](C)(CO)C4)ccc3C2)cc1.
What is the InChIKey of [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
The InChIKey is JRWQZUWIDQZDGE-VPHKFGTKSA-N. The full InChI is InChI=1S/C25H32O2/c1-18-3-9-24(10-4-18)27-16-19-5-6-21-14-22(8-7-20(21)13-19)23-11-12-25(2,15-23)17-26/h3-4,7-10,14,19,23,26H,5-6,11-13,15-17H2,1-2H3/t19-,23+,25+/m1/s1.
What are the key properties of [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?
[(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 364.53 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-1-methyl-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 169128718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).