1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol

C18H22O2 — CID 103451980

IUPAC1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
SMILESOC(c1cccc2ccccc12)C1(O)CCCCCC1
InChIInChI=1S/C18H22O2/c19-17(18(20)12-5-1-2-6-13-18)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,17,19-20H,1-2,5-6,12-13H2
InChIKeyMFNBHZJPVPXBRM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.96
Rot. Bonds2

About 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol

1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol (PubChem CID 103451980) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
PubChem CID103451980
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
SMILESOC(c1cccc2ccccc12)C1(O)CCCCCC1
InChIInChI=1S/C18H22O2/c19-17(18(20)12-5-1-2-6-13-18)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,17,19-20H,1-2,5-6,12-13H2
InChIKeyMFNBHZJPVPXBRM-UHFFFAOYSA-N
XLogP3.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-amino(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 66807782
1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol
CID 103451995
1-N,1-N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807911
1-[2-[[(2R)-2-(dimethylamino)propyl]-methylamino]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 143037071
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448384
N,N'-bis[(S)-(1-hydroxycyclobutyl)-naphthalen-1-ylmethyl]propanediamide
CID 66807728
N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 141117170
N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
CID 66807872
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 72758154
1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451616
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol (CID 103451980) is 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol is OC(c1cccc2ccccc12)C1(O)CCCCCC1.
What is the InChIKey of 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol?
The InChIKey is MFNBHZJPVPXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-17(18(20)12-5-1-2-6-13-18)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,17,19-20H,1-2,5-6,12-13H2.
What are the key properties of 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol?
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103451980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).