trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol

C15H22O3 — CID 16720719

IUPACtrans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
SMILESCOc1ccc(CO[C@@H]2CCCCC[C@H]2O)cc1
InChIInChI=1S/C15H22O3/c1-17-13-9-7-12(8-10-13)11-18-15-6-4-2-3-5-14(15)16/h7-10,14-16H,2-6,11H2,1H3/t14-,15-/m1/s1
InChIKeyZESJYHPAEPDFQD-HUUCEWRRSA-N
MW250.34 g/mol
LogP2.91
Rot. Bonds4

About trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol

trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol (PubChem CID 16720719) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
PubChem CID16720719
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nametrans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
SMILESCOc1ccc(CO[C@@H]2CCCCC[C@H]2O)cc1
InChIInChI=1S/C15H22O3/c1-17-13-9-7-12(8-10-13)11-18-15-6-4-2-3-5-14(15)16/h7-10,14-16H,2-6,11H2,1H3/t14-,15-/m1/s1
InChIKeyZESJYHPAEPDFQD-HUUCEWRRSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
CID 10037202
(1R,3S,4R)-2-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)cyclohexan-1-ol
CID 90854427
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
2-[(4-methoxyphenyl)methoxy]cyclohexan-1-one
CID 11149013
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
(1Z)-7-[(4-methoxyphenyl)methoxy]-1-methylcyclohexadecene
CID 163319777
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1R,3R,5S)-2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)cyclohexan-1-ol
CID 146033980

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol (CID 16720719) is trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol is COc1ccc(CO[C@@H]2CCCCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol?
The InChIKey is ZESJYHPAEPDFQD-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22O3/c1-17-13-9-7-12(8-10-13)11-18-15-6-4-2-3-5-14(15)16/h7-10,14-16H,2-6,11H2,1H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol?
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol is sourced from PubChem (CID 16720719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).