2-methyl-1-(9H-xanthen-9-yl)propan-1-ol

C17H18O2 — CID 23562247

IUPAC2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
SMILESCC(C)C(O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H18O2/c1-11(2)17(18)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11,16-18H,1-2H3
InChIKeyUSUVUAJYGDXAKC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.94
Rot. Bonds2

About 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol

2-methyl-1-(9H-xanthen-9-yl)propan-1-ol (PubChem CID 23562247) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
PubChem CID23562247
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
SMILESCC(C)C(O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H18O2/c1-11(2)17(18)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11,16-18H,1-2H3
InChIKeyUSUVUAJYGDXAKC-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(9H-xanthen-9-yl)butanoic acid
CID 135032145
1-(9H-xanthen-9-ylamino)propan-2-ol
CID 43499245
6-propan-2-yl-6H-benzo[b][1]benzoxepin-5-one
CID 58780285
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
N-propan-2-yl-9H-xanthen-9-amine
CID 43344196
3-methoxy-3-oxo-2-(9H-xanthen-9-yl)propanoic acid
CID 45357103
9H-xanthen-9-ylazanium
CID 51652356
ethyl 3-oxo-2-(9H-xanthen-9-yl)butanoate
CID 12676138
9-methyl-9H-xanthene;propane
CID 143256907
(2S)-1-(4-fluorophenyl)-2-(9H-xanthen-9-yl)butane-1,3-dione
CID 1167366
8,14-dioxapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 22895103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol (CID 23562247) is 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol is CC(C)C(O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol?
The InChIKey is USUVUAJYGDXAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11(2)17(18)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3-11,16-18H,1-2H3.
What are the key properties of 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol?
2-methyl-1-(9H-xanthen-9-yl)propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(9H-xanthen-9-yl)propan-1-ol is sourced from PubChem (CID 23562247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).