1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C14H18O2 — CID 117311132

IUPAC1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(O)c(C2(O)CC2)c2c1CCCC2
InChIInChI=1S/C14H18O2/c1-9-8-12(15)13(14(16)6-7-14)11-5-3-2-4-10(9)11/h8,15-16H,2-7H2,1H3
InChIKeyYFMBUNSPIFBVTA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.56
Rot. Bonds1

About 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117311132) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117311132
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(O)c(C2(O)CC2)c2c1CCCC2
InChIInChI=1S/C14H18O2/c1-9-8-12(15)13(14(16)6-7-14)11-5-3-2-4-10(9)11/h8,15-16H,2-7H2,1H3
InChIKeyYFMBUNSPIFBVTA-UHFFFAOYSA-N
XLogP2.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117360112
4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol
CID 117117396
2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
CID 117395622
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
2-(1-hydroxycyclopentyl)-3-methylphenol
CID 117104122
5-fluoro-2-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 117287688
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
ethane;4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 145378366
2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 117340668
1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117339349
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
CID 117411677
2-ethyl-4-(1-hydroxycyclopropyl)-5-methylphenol
CID 117283106

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117311132) is 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cc(O)c(C2(O)CC2)c2c1CCCC2.
What is the InChIKey of 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YFMBUNSPIFBVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-8-12(15)13(14(16)6-7-14)11-5-3-2-4-10(9)11/h8,15-16H,2-7H2,1H3.
What are the key properties of 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117311132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).