benzene;naphthalen-1-yloxymethanol

C17H16O2 — CID 70447137

IUPACbenzene;naphthalen-1-yloxymethanol
SMILESOCOc1cccc2ccccc12.c1ccccc1
InChIInChI=1S/C11H10O2.C6H6/c12-8-13-11-7-3-5-9-4-1-2-6-10(9)11;1-2-4-6-5-3-1/h1-7,12H,8H2;1-6H
InChIKeyYCLCMRKLRBSJQN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.86
Rot. Bonds2

About benzene;naphthalen-1-yloxymethanol

benzene;naphthalen-1-yloxymethanol (PubChem CID 70447137) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is benzene;naphthalen-1-yloxymethanol.

Molecular Properties

Compound Namebenzene;naphthalen-1-yloxymethanol
PubChem CID70447137
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namebenzene;naphthalen-1-yloxymethanol
SMILESOCOc1cccc2ccccc12.c1ccccc1
InChIInChI=1S/C11H10O2.C6H6/c12-8-13-11-7-3-5-9-4-1-2-6-10(9)11;1-2-4-6-5-3-1/h1-7,12H,8H2;1-6H
InChIKeyYCLCMRKLRBSJQN-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(naphthalen-1-yloxymethylamino)methanol
CID 54336494
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
1-(3-chloropropoxy)naphthalene
CID 12685615
lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
anthracen-9-yloxymethanol
CID 177108126
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
2-naphthalen-1-yloxyacetonitrile
CID 4123375
1-butoxynaphthalene
CID 13262700
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
dinaphthalen-1-yloxymethanethione
CID 22635249

Frequently Asked Questions

What is the IUPAC name of benzene;naphthalen-1-yloxymethanol?
The IUPAC name of benzene;naphthalen-1-yloxymethanol (CID 70447137) is benzene;naphthalen-1-yloxymethanol.
What is the SMILES notation for benzene;naphthalen-1-yloxymethanol?
The canonical SMILES for benzene;naphthalen-1-yloxymethanol is OCOc1cccc2ccccc12.c1ccccc1.
What is the InChIKey of benzene;naphthalen-1-yloxymethanol?
The InChIKey is YCLCMRKLRBSJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2.C6H6/c12-8-13-11-7-3-5-9-4-1-2-6-10(9)11;1-2-4-6-5-3-1/h1-7,12H,8H2;1-6H.
What are the key properties of benzene;naphthalen-1-yloxymethanol?
benzene;naphthalen-1-yloxymethanol has a molecular weight of 252.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;naphthalen-1-yloxymethanol is sourced from PubChem (CID 70447137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).